2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

C12H16N8O — CID 145272307

IUPAC2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILES[H]/N=C(\C(=O)Nc1cc(C(C)C)[nH]n1)c1c(N)ncnc1N
InChIInChI=1S/C12H16N8O/c1-5(2)6-3-7(20-19-6)18-12(21)9(13)8-10(14)16-4-17-11(8)15/h3-5,13H,1-2H3,(H4,14,15,16,17)(H2,18,19,20,21)/b13-9-
InChIKeyUKWWTMRGEDMIDW-LCYFTJDESA-N
MW288.31 g/mol
LogP0.49
Rot. Bonds4

About 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 145272307) has the molecular formula C12H16N8O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
PubChem CID145272307
Molecular FormulaC12H16N8O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILES[H]/N=C(\C(=O)Nc1cc(C(C)C)[nH]n1)c1c(N)ncnc1N
InChIInChI=1S/C12H16N8O/c1-5(2)6-3-7(20-19-6)18-12(21)9(13)8-10(14)16-4-17-11(8)15/h3-5,13H,1-2H3,(H4,14,15,16,17)(H2,18,19,20,21)/b13-9-
InChIKeyUKWWTMRGEDMIDW-LCYFTJDESA-N
XLogP0.49
TPSA159.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide
CID 126698678
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618436
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115976344
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 115976338
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618403
2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 112639598
4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115868449
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618326
6-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 103543383
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 115663305
5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616320

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (CID 145272307) is 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is [H]/N=C(\C(=O)Nc1cc(C(C)C)[nH]n1)c1c(N)ncnc1N.
What is the InChIKey of 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is UKWWTMRGEDMIDW-LCYFTJDESA-N. The full InChI is InChI=1S/C12H16N8O/c1-5(2)6-3-7(20-19-6)18-12(21)9(13)8-10(14)16-4-17-11(8)15/h3-5,13H,1-2H3,(H4,14,15,16,17)(H2,18,19,20,21)/b13-9-.
What are the key properties of 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 0.49, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 145272307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).