2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide

C16H18N4O — CID 109247554

IUPAC2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(NC2CC2)nc1
InChIInChI=1S/C16H18N4O/c1-10-4-3-5-11(2)14(10)20-15(21)12-8-17-16(18-9-12)19-13-6-7-13/h3-5,8-9,13H,6-7H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyGBYSJGAVZNZBGR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.92
Rot. Bonds4

About 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide

2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109247554) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109247554
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(NC2CC2)nc1
InChIInChI=1S/C16H18N4O/c1-10-4-3-5-11(2)14(10)20-15(21)12-8-17-16(18-9-12)19-13-6-7-13/h3-5,8-9,13H,6-7H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyGBYSJGAVZNZBGR-UHFFFAOYSA-N
XLogP2.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109250548
2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109267067
N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247161
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109319743
methyl 3-[[2-(cyclopropylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247601
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249823
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566
N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247618
2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109249729
2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267049
2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267000

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide (CID 109247554) is 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide is Cc1cccc(C)c1NC(=O)c1cnc(NC2CC2)nc1.
What is the InChIKey of 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is GBYSJGAVZNZBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-4-3-5-11(2)14(10)20-15(21)12-8-17-16(18-9-12)19-13-6-7-13/h3-5,8-9,13H,6-7H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).