6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C18H21ClN4O2 — CID 109343981

IUPAC6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2cc(C(=O)NCC3CCCO3)ncn2)c(Cl)c1
InChIInChI=1S/C18H21ClN4O2/c1-11-6-12(2)17(14(19)7-11)23-16-8-15(21-10-22-16)18(24)20-9-13-4-3-5-25-13/h6-8,10,13H,3-5,9H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyBMOCWYKLUOCAEF-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.40
Rot. Bonds5

About 6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109343981) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109343981
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2cc(C(=O)NCC3CCCO3)ncn2)c(Cl)c1
InChIInChI=1S/C18H21ClN4O2/c1-11-6-12(2)17(14(19)7-11)23-16-8-15(21-10-22-16)18(24)20-9-13-4-3-5-25-13/h6-8,10,13H,3-5,9H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyBMOCWYKLUOCAEF-UHFFFAOYSA-N
XLogP3.40
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloro-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344039
2-(2-chloro-4,6-dimethylanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324782
N-(oxolan-2-ylmethyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344010
N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341311
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344009
6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343986
N-(oxolan-2-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109343999
N-(oxolan-2-ylmethyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109344046
N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343781
4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870105
4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206834

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109343981) is 6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C)c(Nc2cc(C(=O)NCC3CCCO3)ncn2)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is BMOCWYKLUOCAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-11-6-12(2)17(14(19)7-11)23-16-8-15(21-10-22-16)18(24)20-9-13-4-3-5-25-13/h6-8,10,13H,3-5,9H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).