6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C16H20N6O — CID 73345920

IUPAC6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCN(CC)c1nc(Nc2cccc(OC)c2)c2cn[nH]c2n1
InChIInChI=1S/C16H20N6O/c1-4-22(5-2)16-19-14(13-10-17-21-15(13)20-16)18-11-7-6-8-12(9-11)23-3/h6-10H,4-5H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyHGLBJEIAVUCWNG-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.95
Rot. Bonds6

About 6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 73345920) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID73345920
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCN(CC)c1nc(Nc2cccc(OC)c2)c2cn[nH]c2n1
InChIInChI=1S/C16H20N6O/c1-4-22(5-2)16-19-14(13-10-17-21-15(13)20-16)18-11-7-6-8-12(9-11)23-3/h6-10H,4-5H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyHGLBJEIAVUCWNG-UHFFFAOYSA-N
XLogP2.95
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11088468
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971215
4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 112863500
5-N-[4-(diethylamino)phenyl]-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967283
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 107854257
6-hydrazinyl-N-(3-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947184
2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
CID 757186
2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109310751
5-(3-methoxyanilino)-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412255
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 73345920) is 6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CCN(CC)c1nc(Nc2cccc(OC)c2)c2cn[nH]c2n1.
What is the InChIKey of 6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is HGLBJEIAVUCWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-4-22(5-2)16-19-14(13-10-17-21-15(13)20-16)18-11-7-6-8-12(9-11)23-3/h6-10H,4-5H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 312.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 73345920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).