N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide

C17H19ClN4O2 — CID 109252602

IUPACN-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C17H19ClN4O2/c1-11-7-13(18)4-5-15(11)22-16(23)12-8-19-17(20-9-12)21-10-14-3-2-6-24-14/h4-5,7-9,14H,2-3,6,10H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyFKWLRVSVAYBAJT-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.28
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide

N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109252602) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109252602
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C17H19ClN4O2/c1-11-7-13(18)4-5-15(11)22-16(23)12-8-19-17(20-9-12)21-10-14-3-2-6-24-14/h4-5,7-9,14H,2-3,6,10H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyFKWLRVSVAYBAJT-UHFFFAOYSA-N
XLogP3.28
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153607
N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252625
N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185179
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
methyl 3-[[2-(oxolan-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109252629
1-(4-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 799811
N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343781
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252395
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide
CID 95774376
4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912686
2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109252524

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109252602) is N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cnc(NCC2CCCO2)nc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is FKWLRVSVAYBAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11-7-13(18)4-5-15(11)22-16(23)12-8-19-17(20-9-12)21-10-14-3-2-6-24-14/h4-5,7-9,14H,2-3,6,10H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).