N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

C18H22N4O2 — CID 109300782

IUPACN-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(NCC3CCCO3)n2)c1C
InChIInChI=1S/C18H22N4O2/c1-12-5-3-7-15(13(12)2)21-17(23)16-8-9-19-18(22-16)20-11-14-6-4-10-24-14/h3,5,7-9,14H,4,6,10-11H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyBUTKIKDZXBGPOH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.94
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109300782) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109300782
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(NCC3CCCO3)n2)c1C
InChIInChI=1S/C18H22N4O2/c1-12-5-3-7-15(13(12)2)21-17(23)16-8-9-19-18(22-16)20-11-14-6-4-10-24-14/h3,5,7-9,14H,4,6,10-11H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyBUTKIKDZXBGPOH-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

methyl 2-[[2-(oxolan-2-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109300827
2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300853
N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300819
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305549
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307786
N-(2-ethylphenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324607
2-(2-chloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300970
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109299391
N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324672
N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109300934

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109300782) is N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2ccnc(NCC3CCCO3)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is BUTKIKDZXBGPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-5-3-7-15(13(12)2)21-17(23)16-8-9-19-18(22-16)20-11-14-6-4-10-24-14/h3,5,7-9,14H,4,6,10-11H2,1-2H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2,3-dimethylphenyl)-2-(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-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).