4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C12H10Cl2N6 — CID 39826609

IUPAC4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(NCc2cccc(Cl)c2Cl)c2cn[nH]c2n1
InChIInChI=1S/C12H10Cl2N6/c13-8-3-1-2-6(9(8)14)4-16-10-7-5-17-20-11(7)19-12(15)18-10/h1-3,5H,4H2,(H4,15,16,17,18,19,20)
InChIKeyNLLJWSQPIGOHAS-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.85
Rot. Bonds3

About 4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 39826609) has the molecular formula C12H10Cl2N6 and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID39826609
Molecular FormulaC12H10Cl2N6
Molecular Weight309.16 g/mol
Exact Mass308.03
IUPAC Name4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(NCc2cccc(Cl)c2Cl)c2cn[nH]c2n1
InChIInChI=1S/C12H10Cl2N6/c13-8-3-1-2-6(9(8)14)4-16-10-7-5-17-20-11(7)19-12(15)18-10/h1-3,5H,4H2,(H4,15,16,17,18,19,20)
InChIKeyNLLJWSQPIGOHAS-UHFFFAOYSA-N
XLogP2.85
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39804562
4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39830512
4-N-[(3-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39782188
2-[[(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]phenol
CID 114156842
6-chloro-2-N-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 166163825
4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 76847078
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 106193592
8-chloro-N-[(2,3-dichlorophenyl)methyl]-7H-purin-6-amine
CID 71516494
6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 82748227
4-(2,2-dimethylhydrazinyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 83026942
6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 91872292
N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine
CID 4725567

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 39826609) is 4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is Nc1nc(NCc2cccc(Cl)c2Cl)c2cn[nH]c2n1.
What is the InChIKey of 4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is NLLJWSQPIGOHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N6/c13-8-3-1-2-6(9(8)14)4-16-10-7-5-17-20-11(7)19-12(15)18-10/h1-3,5H,4H2,(H4,15,16,17,18,19,20).
What are the key properties of 4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 309.16 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 39826609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).