N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide

C16H20N4O — CID 109246763

IUPACN-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2cc(C)ccc2C)cn1
InChIInChI=1S/C16H20N4O/c1-4-7-17-16-18-9-13(10-19-16)15(21)20-14-8-11(2)5-6-12(14)3/h5-6,8-10H,4,7H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyVWZADDUJKKEDPX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.17
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide

N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide (PubChem CID 109246763) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
PubChem CID109246763
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2cc(C)ccc2C)cn1
InChIInChI=1S/C16H20N4O/c1-4-7-17-16-18-9-13(10-19-16)15(21)20-14-8-11(2)5-6-12(14)3/h5-6,8-10H,4,7H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyVWZADDUJKKEDPX-UHFFFAOYSA-N
XLogP3.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318959
N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263756
N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109266557
2-[3-(dimethylamino)propylamino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109253552
2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109266635
6-amino-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 62155556
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
2-(pentylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109263774
N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246802
ethyl 2-[[2-(2,5-dimethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266672
N-(2,5-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639934
N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240144

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide (CID 109246763) is N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide is CCCNc1ncc(C(=O)Nc2cc(C)ccc2C)cn1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide?
The InChIKey is VWZADDUJKKEDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-7-17-16-18-9-13(10-19-16)15(21)20-14-8-11(2)5-6-12(14)3/h5-6,8-10H,4,7H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide?
N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109246763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).