3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine

C13H15N7 — CID 144988941

IUPAC3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine
SMILESCCCc1cncc(-c2nn(N)c3ncnc(N)c23)c1
InChIInChI=1S/C13H15N7/c1-2-3-8-4-9(6-16-5-8)11-10-12(14)17-7-18-13(10)20(15)19-11/h4-7H,2-3,15H2,1H3,(H2,14,17,18)
InChIKeyFXKKZRLCXYKSRH-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.14
Rot. Bonds3

About 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine

3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine (PubChem CID 144988941) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine.

Molecular Properties

Compound Name3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine
PubChem CID144988941
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine
SMILESCCCc1cncc(-c2nn(N)c3ncnc(N)c23)c1
InChIInChI=1S/C13H15N7/c1-2-3-8-4-9(6-16-5-8)11-10-12(14)17-7-18-13(10)20(15)19-11/h4-7H,2-3,15H2,1H3,(H2,14,17,18)
InChIKeyFXKKZRLCXYKSRH-UHFFFAOYSA-N
XLogP1.14
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633547
3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350721
1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86766176
5-(4-amino-1-propylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 154677705
5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 142467589
3-[(1S)-1-[4-amino-3-(5-hydroxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-[3-[(dimethylamino)methyl]phenyl]isochromen-1-one;ethanesulfonic acid
CID 175968247
3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166787512
3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269290
3-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 131967203
3-(3,4-dimethylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 53345583
3-[(1R)-1-[4-amino-3-(5-hydroxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]isochromen-1-one
CID 155166935

Frequently Asked Questions

What is the IUPAC name of 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine?
The IUPAC name of 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine (CID 144988941) is 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine.
What is the SMILES notation for 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine?
The canonical SMILES for 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine is CCCc1cncc(-c2nn(N)c3ncnc(N)c23)c1.
What is the InChIKey of 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine?
The InChIKey is FXKKZRLCXYKSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-2-3-8-4-9(6-16-5-8)11-10-12(14)17-7-18-13(10)20(15)19-11/h4-7H,2-3,15H2,1H3,(H2,14,17,18).
What are the key properties of 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine?
3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine has a molecular weight of 269.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine is sourced from PubChem (CID 144988941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).