2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide

C17H22N4O — CID 109249103

IUPAC2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCCC(C)Nc1ncc(C(=O)Nc2ccc(C)cc2C)cn1
InChIInChI=1S/C17H22N4O/c1-5-13(4)20-17-18-9-14(10-19-17)16(22)21-15-7-6-11(2)8-12(15)3/h6-10,13H,5H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyHXGDGNPQGWCVOY-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.56
Rot. Bonds5

About 2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide

2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109249103) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109249103
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCCC(C)Nc1ncc(C(=O)Nc2ccc(C)cc2C)cn1
InChIInChI=1S/C17H22N4O/c1-5-13(4)20-17-18-9-14(10-19-17)16(22)21-15-7-6-11(2)8-12(15)3/h6-10,13H,5H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyHXGDGNPQGWCVOY-UHFFFAOYSA-N
XLogP3.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109273399
2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109249144
N-(2,4-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255994
2-(2,6-dimethylanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266373
2-[3-(dimethylamino)propylamino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109253552
2-(4-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266398
N-(3-acetylphenyl)-2-(butan-2-ylamino)pyrimidine-5-carboxamide
CID 109249149
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
2-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266445
2-(3,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266432
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109258278

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide (CID 109249103) is 2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide is CCC(C)Nc1ncc(C(=O)Nc2ccc(C)cc2C)cn1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is HXGDGNPQGWCVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-5-13(4)20-17-18-9-14(10-19-17)16(22)21-15-7-6-11(2)8-12(15)3/h6-10,13H,5H2,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109249103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).