4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C16H16N8 — CID 39805410

IUPAC4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(N[C@H](Cn2ccnc2)c2ccccc2)c2cn[nH]c2n1
InChIInChI=1S/C16H16N8/c17-16-21-14(12-8-19-23-15(12)22-16)20-13(9-24-7-6-18-10-24)11-4-2-1-3-5-11/h1-8,10,13H,9H2,(H4,17,19,20,21,22,23)/t13-/m1/s1
InChIKeyFKBYDYMCUDQZQV-CYBMUJFWSA-N
MW320.36 g/mol
LogP1.99
Rot. Bonds5

About 4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 39805410) has the molecular formula C16H16N8 and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID39805410
Molecular FormulaC16H16N8
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(N[C@H](Cn2ccnc2)c2ccccc2)c2cn[nH]c2n1
InChIInChI=1S/C16H16N8/c17-16-21-14(12-8-19-23-15(12)22-16)20-13(9-24-7-6-18-10-24)11-4-2-1-3-5-11/h1-8,10,13H,9H2,(H4,17,19,20,21,22,23)/t13-/m1/s1
InChIKeyFKBYDYMCUDQZQV-CYBMUJFWSA-N
XLogP1.99
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95730110
4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 66763023
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-5-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 26406732
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95888823
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97279933
3-(2,6-diaminopyrimidin-4-yl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
CID 169416226
3-imidazol-1-yl-2-phenylpropan-1-amine
CID 64538242
4-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 95885220
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 76847022
4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39804562

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 39805410) is 4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is Nc1nc(N[C@H](Cn2ccnc2)c2ccccc2)c2cn[nH]c2n1.
What is the InChIKey of 4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is FKBYDYMCUDQZQV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N8/c17-16-21-14(12-8-19-23-15(12)22-16)20-13(9-24-7-6-18-10-24)11-4-2-1-3-5-11/h1-8,10,13H,9H2,(H4,17,19,20,21,22,23)/t13-/m1/s1.
What are the key properties of 4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 320.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 39805410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).