6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol

C16H22N4O2 — CID 143943199

IUPAC6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol
SMILESCC(C)CCO.Nc1cc(C(=O)Nc2ccccc2)ncn1
InChIInChI=1S/C11H10N4O.C5H12O/c12-10-6-9(13-7-14-10)11(16)15-8-4-2-1-3-5-8;1-5(2)3-4-6/h1-7H,(H,15,16)(H2,12,13,14);5-6H,3-4H2,1-2H3
InChIKeyKHXQROWGWHWGJN-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.34
Rot. Bonds4

About 6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol

6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol (PubChem CID 143943199) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol.

Molecular Properties

Compound Name6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol
PubChem CID143943199
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol
SMILESCC(C)CCO.Nc1cc(C(=O)Nc2ccccc2)ncn1
InChIInChI=1S/C11H10N4O.C5H12O/c12-10-6-9(13-7-14-10)11(16)15-8-4-2-1-3-5-8;1-5(2)3-4-6/h1-7H,(H,15,16)(H2,12,13,14);5-6H,3-4H2,1-2H3
InChIKeyKHXQROWGWHWGJN-UHFFFAOYSA-N
XLogP2.34
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate
CID 109355772
6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 167762854
6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109346565
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol?
The IUPAC name of 6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol (CID 143943199) is 6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol.
What is the SMILES notation for 6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol?
The canonical SMILES for 6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol is CC(C)CCO.Nc1cc(C(=O)Nc2ccccc2)ncn1.
What is the InChIKey of 6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol?
The InChIKey is KHXQROWGWHWGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O.C5H12O/c12-10-6-9(13-7-14-10)11(16)15-8-4-2-1-3-5-8;1-5(2)3-4-6/h1-7H,(H,15,16)(H2,12,13,14);5-6H,3-4H2,1-2H3.
What are the key properties of 6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol?
6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol has a molecular weight of 302.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol is sourced from PubChem (CID 143943199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).