2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine

C14H16N6 — CID 63730689

IUPAC2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C14H16N6/c1-10(7-15)19-13-12-8-18-20(14(12)17-9-16-13)11-5-3-2-4-6-11/h2-6,8-10H,7,15H2,1H3,(H,16,17,19)
InChIKeyDAZFJIIXAQNEOS-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.57
Rot. Bonds4

About 2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine

2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (PubChem CID 63730689) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
PubChem CID63730689
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C14H16N6/c1-10(7-15)19-13-12-8-18-20(14(12)17-9-16-13)11-5-3-2-4-6-11/h2-6,8-10H,7,15H2,1H3,(H,16,17,19)
InChIKeyDAZFJIIXAQNEOS-UHFFFAOYSA-N
XLogP1.57
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83179391
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133378084
(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866509
(2R)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866510
(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122050233
1-(4-bromophenyl)-N-butan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432137
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
CID 59447546
1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 133331840
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (CID 63730689) is 2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is CC(CN)Nc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is DAZFJIIXAQNEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-10(7-15)19-13-12-8-18-20(14(12)17-9-16-13)11-5-3-2-4-6-11/h2-6,8-10H,7,15H2,1H3,(H,16,17,19).
What are the key properties of 2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 63730689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).