2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

C18H22N4O2 — CID 109252405

IUPAC2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(C)c(Nc2ncc(C(=O)NCC3CCCO3)cn2)c1
InChIInChI=1S/C18H22N4O2/c1-12-5-6-13(2)16(8-12)22-18-20-9-14(10-21-18)17(23)19-11-15-4-3-7-24-15/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyOQMPAPCNMHIERZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.75
Rot. Bonds5

About 2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109252405) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109252405
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(C)c(Nc2ncc(C(=O)NCC3CCCO3)cn2)c1
InChIInChI=1S/C18H22N4O2/c1-12-5-6-13(2)16(8-12)22-18-20-9-14(10-21-18)17(23)19-11-15-4-3-7-24-15/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyOQMPAPCNMHIERZ-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252426
2-(2,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252478
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252451
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252474
2-(2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300951
5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 93231190
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252493
2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110702157

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (CID 109252405) is 2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is Cc1ccc(C)c(Nc2ncc(C(=O)NCC3CCCO3)cn2)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is OQMPAPCNMHIERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-5-6-13(2)16(8-12)22-18-20-9-14(10-21-18)17(23)19-11-15-4-3-7-24-15/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).