2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

C16H19N5O2 — CID 109252524

IUPAC2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C16H19N5O2/c22-15(18-8-12-3-5-17-6-4-12)13-9-19-16(20-10-13)21-11-14-2-1-7-23-14/h3-6,9-10,14H,1-2,7-8,11H2,(H,18,22)(H,19,20,21)
InChIKeyRADIODUXHVZVNS-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.39
Rot. Bonds6

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

2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109252524) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109252524
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C16H19N5O2/c22-15(18-8-12-3-5-17-6-4-12)13-9-19-16(20-10-13)21-11-14-2-1-7-23-14/h3-6,9-10,14H,1-2,7-8,11H2,(H,18,22)(H,19,20,21)
InChIKeyRADIODUXHVZVNS-UHFFFAOYSA-N
XLogP1.39
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109252554
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251671
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-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252355
N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252602
2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109247885
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
6-methyl-N-(oxolan-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109324709
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 109252524) is 2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is O=C(NCc1ccncc1)c1cnc(NCC2CCCO2)nc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is RADIODUXHVZVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-15(18-8-12-3-5-17-6-4-12)13-9-19-16(20-10-13)21-11-14-2-1-7-23-14/h3-6,9-10,14H,1-2,7-8,11H2,(H,18,22)(H,19,20,21).
What are the key properties of 2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).