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

C18H22N4O2 — CID 109343781

IUPACN-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCC3CCCO3)ncn2)c(C)c1
InChIInChI=1S/C18H22N4O2/c1-12-5-6-15(13(2)8-12)22-18(23)16-9-17(21-11-20-16)19-10-14-4-3-7-24-14/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyFMXJLIUMXGORPA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.94
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109343781) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109343781
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCC3CCCO3)ncn2)c(C)c1
InChIInChI=1S/C18H22N4O2/c1-12-5-6-15(13(2)8-12)22-18(23)16-9-17(21-11-20-16)19-10-14-4-3-7-24-14/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyFMXJLIUMXGORPA-UHFFFAOYSA-N
XLogP2.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343818
N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185179
N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343813
6-(oxolan-2-ylmethylamino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109343791
N-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343802
6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096195
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287
N-[(2-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343712
N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343844
6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339622
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109343781) is N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NCC3CCCO3)ncn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is FMXJLIUMXGORPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-5-6-15(13(2)8-12)22-18(23)16-9-17(21-11-20-16)19-10-14-4-3-7-24-14/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).