N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

C19H24N4O2 — CID 109365751

IUPACN-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCC2CCCO2)cc(C(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C19H24N4O2/c1-12-6-4-7-13(2)18(12)23-19(24)16-10-17(22-14(3)21-16)20-11-15-8-5-9-25-15/h4,6-7,10,15H,5,8-9,11H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyJMIBXIHZXVPIEC-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.25
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109365751) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109365751
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCC2CCCO2)cc(C(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C19H24N4O2/c1-12-6-4-7-13(2)18(12)23-19(24)16-10-17(22-14(3)21-16)20-11-15-8-5-9-25-15/h4,6-7,10,15H,5,8-9,11H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyJMIBXIHZXVPIEC-UHFFFAOYSA-N
XLogP3.25
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365830
N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365824
N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365780
N-tert-butyl-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365728
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365694
N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365708
N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853553
6-[2,6-di(propan-2-yl)anilino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365965
6-(butylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109361556
6-(2-methoxyethylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109364622
N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324672
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109365751) is N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is Cc1nc(NCC2CCCO2)cc(C(=O)Nc2c(C)cccc2C)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is JMIBXIHZXVPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-6-4-7-13(2)18(12)23-19(24)16-10-17(22-14(3)21-16)20-11-15-8-5-9-25-15/h4,6-7,10,15H,5,8-9,11H2,1-3H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109365751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).