3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine

C19H18ClN7 — CID 67630614

IUPAC3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
SMILESNCc1cccc(CNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)c1
InChIInChI=1S/C19H18ClN7/c20-14-5-2-6-15(8-14)25-17-16-18(26-27-19(16)24-11-23-17)22-10-13-4-1-3-12(7-13)9-21/h1-8,11H,9-10,21H2,(H3,22,23,24,25,26,27)
InChIKeyIKZMNSUUNOLOMT-UHFFFAOYSA-N
MW379.86 g/mol
LogP3.82
Rot. Bonds6

About 3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine

3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine (PubChem CID 67630614) has the molecular formula C19H18ClN7 and a molecular weight of 379.86 g/mol. Its IUPAC name is 3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine.

Molecular Properties

Compound Name3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
PubChem CID67630614
Molecular FormulaC19H18ClN7
Molecular Weight379.86 g/mol
Exact Mass379.13
IUPAC Name3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
SMILESNCc1cccc(CNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)c1
InChIInChI=1S/C19H18ClN7/c20-14-5-2-6-15(8-14)25-17-16-18(26-27-19(16)24-11-23-17)22-10-13-4-1-3-12(7-13)9-21/h1-8,11H,9-10,21H2,(H3,22,23,24,25,26,27)
InChIKeyIKZMNSUUNOLOMT-UHFFFAOYSA-N
XLogP3.82
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine with MolForge

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Related Compounds

methyl 3-[[[4-(3-chloroanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]amino]methyl]benzoate;hydrochloride
CID 19610621
N-[3-[[4-(3-chloroanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]amino]propyl]formamide
CID 21190591
N-[2-[[4-(3-chloroanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]amino]ethyl]-4-nitrobenzamide
CID 21190731
4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
CID 57131361
N-[[4-[[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]phenyl]methyl]methanesulfonamide
CID 19610552
4-N-(3-chlorophenyl)-3-N-methyl-3-N-pyridin-3-yl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
CID 21190644
tert-butyl N-[[3-[[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]phenyl]methyl]carbamate
CID 21190695
3-N-(4-aminophenyl)-4-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine;hydrochloride
CID 19610615
3-(4-aminophenyl)-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327846
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 23282803
6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544898

Frequently Asked Questions

What is the IUPAC name of 3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
The IUPAC name of 3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine (CID 67630614) is 3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine.
What is the SMILES notation for 3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
The canonical SMILES for 3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine is NCc1cccc(CNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)c1.
What is the InChIKey of 3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
The InChIKey is IKZMNSUUNOLOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7/c20-14-5-2-6-15(8-14)25-17-16-18(26-27-19(16)24-11-23-17)22-10-13-4-1-3-12(7-13)9-21/h1-8,11H,9-10,21H2,(H3,22,23,24,25,26,27).
What are the key properties of 3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine has a molecular weight of 379.86 g/mol, XLogP of 3.82, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[3-(aminomethyl)phenyl]methyl]-4-N-(3-chlorophenyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine is sourced from PubChem (CID 67630614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).