N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide

C17H20N4O2 — CID 109340711

IUPACN-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ncn1
InChIInChI=1S/C17H20N4O2/c1-4-11(2)20-16-9-15(18-10-19-16)17(23)21-14-7-5-13(6-8-14)12(3)22/h5-11H,4H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyPOVXMMPLISSFMW-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.14
Rot. Bonds6

About N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide

N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109340711) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109340711
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ncn1
InChIInChI=1S/C17H20N4O2/c1-4-11(2)20-16-9-15(18-10-19-16)17(23)21-14-7-5-13(6-8-14)12(3)22/h5-11H,4H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyPOVXMMPLISSFMW-UHFFFAOYSA-N
XLogP3.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109340698
6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109340748
N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340731
N-(1,3-benzodioxol-5-yl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340735
N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342867
methyl 3-[[6-(butan-2-ylamino)pyrimidine-4-carbonyl]amino]-4-chlorobenzoate
CID 109340717
N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide
CID 109321317
N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344178
6-(butan-2-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109340762
6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109340900
N-(4-acetylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347355
N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356770

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide (CID 109340711) is N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ncn1.
What is the InChIKey of N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is POVXMMPLISSFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-11(2)20-16-9-15(18-10-19-16)17(23)21-14-7-5-13(6-8-14)12(3)22/h5-11H,4H2,1-3H3,(H,21,23)(H,18,19,20).
What are the key properties of N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).