2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide

C15H17ClN4O — CID 109262998

IUPAC2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
SMILESCC(C)(C)Nc1ncc(C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H17ClN4O/c1-15(2,3)20-14-17-8-10(9-18-14)13(21)19-12-6-4-11(16)5-7-12/h4-9H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyCFLNBJGWKXDMEY-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.59
Rot. Bonds3

About 2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide

2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide (PubChem CID 109262998) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
PubChem CID109262998
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
SMILESCC(C)(C)Nc1ncc(C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H17ClN4O/c1-15(2,3)20-14-17-8-10(9-18-14)13(21)19-12-6-4-11(16)5-7-12/h4-9H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyCFLNBJGWKXDMEY-UHFFFAOYSA-N
XLogP3.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide
CID 109263032
N-(4-tert-butylphenyl)-2-(4-chloroanilino)pyrimidine-5-carboxamide
CID 109268262
2-(tert-butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109263016
2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109263001
2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109263034
N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263041
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268910
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
ethyl 4-[[5-[(4-chlorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109268853

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide (CID 109262998) is 2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide is CC(C)(C)Nc1ncc(C(=O)Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide?
The InChIKey is CFLNBJGWKXDMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-15(2,3)20-14-17-8-10(9-18-14)13(21)19-12-6-4-11(16)5-7-12/h4-9H,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of 2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide?
2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).