N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine

C15H13Cl2N5 — CID 138740717

IUPACN-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
SMILESClc1cccc(Cl)c1Cn1cn/c(=N\C2CC2)c2[nH]cnc21
InChIInChI=1S/C15H13Cl2N5/c16-11-2-1-3-12(17)10(11)6-22-8-20-14(21-9-4-5-9)13-15(22)19-7-18-13/h1-3,7-9H,4-6H2,(H,18,19)/b21-14-
InChIKeyGNHJTSRPUSQGSV-STZFKDTASA-N
MW334.21 g/mol
LogP3.18
Rot. Bonds3

About N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine

N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine (PubChem CID 138740717) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
PubChem CID138740717
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC NameN-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
SMILESClc1cccc(Cl)c1Cn1cn/c(=N\C2CC2)c2[nH]cnc21
InChIInChI=1S/C15H13Cl2N5/c16-11-2-1-3-12(17)10(11)6-22-8-20-14(21-9-4-5-9)13-15(22)19-7-18-13/h1-3,7-9H,4-6H2,(H,18,19)/b21-14-
InChIKeyGNHJTSRPUSQGSV-STZFKDTASA-N
XLogP3.18
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine
CID 138740815
3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine
CID 138740842
3-[(2,6-dichlorophenyl)methyl]-8-piperidin-4-yl-7H-purin-6-imine
CID 138740694
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
8-bromo-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740716
3-[(2,6-dichlorophenyl)methyl]-8-methyl-7H-purin-6-imine
CID 138740655
N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide
CID 139308583
9-[(2-chloro-6-fluorophenyl)methyl]purin-6-(15N)amine
CID 172677263
5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679714
3-[(2-methylphenyl)methyl]-7H-purin-6-imine
CID 135435061
3-[(3,5-dibromo-4-pyridinyl)methyl]-7H-purin-6-imine
CID 139308666
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine?
The IUPAC name of N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine (CID 138740717) is N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine.
What is the SMILES notation for N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine?
The canonical SMILES for N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine is Clc1cccc(Cl)c1Cn1cn/c(=N\C2CC2)c2[nH]cnc21.
What is the InChIKey of N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine?
The InChIKey is GNHJTSRPUSQGSV-STZFKDTASA-N. The full InChI is InChI=1S/C15H13Cl2N5/c16-11-2-1-3-12(17)10(11)6-22-8-20-14(21-9-4-5-9)13-15(22)19-7-18-13/h1-3,7-9H,4-6H2,(H,18,19)/b21-14-.
What are the key properties of N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine?
N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine has a molecular weight of 334.21 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine is sourced from PubChem (CID 138740717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).