N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine

C16H19N5O — CID 39893090

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1ccc([C@H](C)Nc2ncnc3c(C)nn(C)c23)cc1
InChIInChI=1S/C16H19N5O/c1-10(12-5-7-13(22-4)8-6-12)19-16-15-14(17-9-18-16)11(2)20-21(15)3/h5-10H,1-4H3,(H,17,18,19)/t10-/m0/s1
InChIKeyZAQRVHNSTRAEJW-JTQLQIEISA-N
MW297.36 g/mol
LogP2.85
Rot. Bonds4

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39893090) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39893090
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1ccc([C@H](C)Nc2ncnc3c(C)nn(C)c23)cc1
InChIInChI=1S/C16H19N5O/c1-10(12-5-7-13(22-4)8-6-12)19-16-15-14(17-9-18-16)11(2)20-21(15)3/h5-10H,1-4H3,(H,17,18,19)/t10-/m0/s1
InChIKeyZAQRVHNSTRAEJW-JTQLQIEISA-N
XLogP2.85
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-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-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686565
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 15916528
5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 66197582
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 62048196
5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 80924266
5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 80851098
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-5-nitropyrimidin-4-amine
CID 66196435
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyridin-3-amine
CID 79041915
6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 80924119
2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021
N-butan-2-yl-1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-amine
CID 56730366

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine (CID 39893090) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine is COc1ccc([C@H](C)Nc2ncnc3c(C)nn(C)c23)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ZAQRVHNSTRAEJW-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N5O/c1-10(12-5-7-13(22-4)8-6-12)19-16-15-14(17-9-18-16)11(2)20-21(15)3/h5-10H,1-4H3,(H,17,18,19)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 297.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39893090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).