2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

C18H20N4O3 — CID 109252451

IUPAC2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(Nc2ncc(C(=O)NCC3CCCO3)cn2)cc1
InChIInChI=1S/C18H20N4O3/c1-12(23)13-4-6-15(7-5-13)22-18-20-9-14(10-21-18)17(24)19-11-16-3-2-8-25-16/h4-7,9-10,16H,2-3,8,11H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyONDKCTVWMFFKSJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.33
Rot. Bonds6

About 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109252451) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109252451
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(Nc2ncc(C(=O)NCC3CCCO3)cn2)cc1
InChIInChI=1S/C18H20N4O3/c1-12(23)13-4-6-15(7-5-13)22-18-20-9-14(10-21-18)17(24)19-11-16-3-2-8-25-16/h4-7,9-10,16H,2-3,8,11H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyONDKCTVWMFFKSJ-UHFFFAOYSA-N
XLogP2.33
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300998
N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252625
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252474
5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 109276874
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 99780202
2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252405
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252493
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
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (CID 109252451) is 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is CC(=O)c1ccc(Nc2ncc(C(=O)NCC3CCCO3)cn2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is ONDKCTVWMFFKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(23)13-4-6-15(7-5-13)22-18-20-9-14(10-21-18)17(24)19-11-16-3-2-8-25-16/h4-7,9-10,16H,2-3,8,11H2,1H3,(H,19,24)(H,20,21,22).
What are the key properties of 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).