4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine

C43H51Cl6N13O3 — CID 159438699

IUPAC4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCOCCC/N=c1\ncn(Cc2c(Cl)cccc2Cl)c2nc[nH]c12.COCCCN.COCCCNc1ncnc2c1N=CC2.ClCc1c(Cl)cccc1Cl.Clc1ncnc2c1N=CC2
InChIInChI=1S/C16H17Cl2N5O.C10H14N4O.C7H5Cl3.C6H4ClN3.C4H11NO/c1-24-7-3-6-19-15-14-16(21-9-20-14)23(10-22-15)8-11-12(17)4-2-5-13(11)18;1-15-6-2-4-12-10-9-8(3-5-11-9)13-7-14-10;8-4-5-6(9)2-1-3-7(5)10;7-6-5-4(1-2-8-5)9-3-10-6;1-6-4-2-3-5/h2,4-5,9-10H,3,6-8H2,1H3,(H,20,21);5,7H,2-4,6H2,1H3,(H,12,13,14);1-3H,4H2;2-3H,1H2;2-5H2,1H3/b19-15-;;;;
InChIKeyDRTZBQLHQNYRMD-KPYOLBLUSA-N
MW1010.69 g/mol
LogP9.34
Rot. Bonds15

About 4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine

4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 159438699) has the molecular formula C43H51Cl6N13O3 and a molecular weight of 1010.69 g/mol. Its IUPAC name is 4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID159438699
Molecular FormulaC43H51Cl6N13O3
Molecular Weight1010.69 g/mol
Exact Mass1007.24
IUPAC Name4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCOCCC/N=c1\ncn(Cc2c(Cl)cccc2Cl)c2nc[nH]c12.COCCCN.COCCCNc1ncnc2c1N=CC2.ClCc1c(Cl)cccc1Cl.Clc1ncnc2c1N=CC2
InChIInChI=1S/C16H17Cl2N5O.C10H14N4O.C7H5Cl3.C6H4ClN3.C4H11NO/c1-24-7-3-6-19-15-14-16(21-9-20-14)23(10-22-15)8-11-12(17)4-2-5-13(11)18;1-15-6-2-4-12-10-9-8(3-5-11-9)13-7-14-10;8-4-5-6(9)2-1-3-7(5)10;7-6-5-4(1-2-8-5)9-3-10-6;1-6-4-2-3-5/h2,4-5,9-10H,3,6-8H2,1H3,(H,20,21);5,7H,2-4,6H2,1H3,(H,12,13,14);1-3H,4H2;2-3H,1H2;2-5H2,1H3/b19-15-;;;;
InChIKeyDRTZBQLHQNYRMD-KPYOLBLUSA-N
XLogP9.34
TPSA200.88 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001010.69
LogP ≤ 59.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740717
3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine
CID 138740842
4-N-(3,4-dichlorophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 22546817
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
N-[(2-amino-6-chlorophenyl)methyl]-7H-purin-6-amine
CID 69242166
4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19144247
N'-[3-[(2-chloro-6-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]propane-1,3-diamine
CID 4638651
6-N-(3-methoxypropyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542993
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 80772369
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
1-N-(3-methoxypropyl)isoquinoline-1,8-diamine
CID 82569893
4-N-[(2-chlorophenyl)methyl]-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19150506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 159438699) is 4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine is COCCC/N=c1\ncn(Cc2c(Cl)cccc2Cl)c2nc[nH]c12.COCCCN.COCCCNc1ncnc2c1N=CC2.ClCc1c(Cl)cccc1Cl.Clc1ncnc2c1N=CC2.
What is the InChIKey of 4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is DRTZBQLHQNYRMD-KPYOLBLUSA-N. The full InChI is InChI=1S/C16H17Cl2N5O.C10H14N4O.C7H5Cl3.C6H4ClN3.C4H11NO/c1-24-7-3-6-19-15-14-16(21-9-20-14)23(10-22-15)8-11-12(17)4-2-5-13(11)18;1-15-6-2-4-12-10-9-8(3-5-11-9)13-7-14-10;8-4-5-6(9)2-1-3-7(5)10;7-6-5-4(1-2-8-5)9-3-10-6;1-6-4-2-3-5/h2,4-5,9-10H,3,6-8H2,1H3,(H,20,21);5,7H,2-4,6H2,1H3,(H,12,13,14);1-3H,4H2;2-3H,1H2;2-5H2,1H3/b19-15-;;;;.
What are the key properties of 4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine?
4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1010.69 g/mol, XLogP of 9.34, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 159438699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).