5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide

C12H16N6O — CID 62186515

IUPAC5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCc2cn[nH]c2)n1
InChIInChI=1S/C12H16N6O/c1-7(2)11-14-6-9(13)10(18-11)12(19)15-3-8-4-16-17-5-8/h4-7H,3,13H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyNUCBDYHCGGCOOI-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.84
Rot. Bonds4

About 5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide

5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 62186515) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID62186515
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCc2cn[nH]c2)n1
InChIInChI=1S/C12H16N6O/c1-7(2)11-14-6-9(13)10(18-11)12(19)15-3-8-4-16-17-5-8/h4-7H,3,13H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyNUCBDYHCGGCOOI-UHFFFAOYSA-N
XLogP0.84
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55043487
5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64583560
5-amino-2-propan-2-yl-N-(2-sulfamoylethyl)pyrimidine-4-carboxamide
CID 62155667
5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161489
5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82947676
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186023
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139995
5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64643270
5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide
CID 106432982
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide (CID 62186515) is 5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)NCc2cn[nH]c2)n1.
What is the InChIKey of 5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is NUCBDYHCGGCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-7(2)11-14-6-9(13)10(18-11)12(19)15-3-8-4-16-17-5-8/h4-7H,3,13H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide?
5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62186515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).