N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide

C15H22N4O3 — CID 109252326

IUPACN-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C15H22N4O3/c20-14(16-9-12-3-1-5-21-12)11-7-17-15(18-8-11)19-10-13-4-2-6-22-13/h7-8,12-13H,1-6,9-10H2,(H,16,20)(H,17,18,19)
InChIKeyGPLULTUFXGLUFK-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.98
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide

N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109252326) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109252326
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C15H22N4O3/c20-14(16-9-12-3-1-5-21-12)11-7-17-15(18-8-11)19-10-13-4-2-6-22-13/h7-8,12-13H,1-6,9-10H2,(H,16,20)(H,17,18,19)
InChIKeyGPLULTUFXGLUFK-UHFFFAOYSA-N
XLogP0.98
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251671
2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109252524
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626
2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252355
2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109252554
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252625
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252451
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252395
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109252326) is N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide is O=C(NCC1CCCO1)c1cnc(NCC2CCCO2)nc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is GPLULTUFXGLUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-14(16-9-12-3-1-5-21-12)11-7-17-15(18-8-11)19-10-13-4-2-6-22-13/h7-8,12-13H,1-6,9-10H2,(H,16,20)(H,17,18,19).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).