N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

C15H22N4O2 — CID 110252079

IUPACN-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(NCC1CCOCC1)C1CCN(c2ncccn2)C1
InChIInChI=1S/C15H22N4O2/c20-14(18-10-12-3-8-21-9-4-12)13-2-7-19(11-13)15-16-5-1-6-17-15/h1,5-6,12-13H,2-4,7-11H2,(H,18,20)
InChIKeyLZYVULWIGOEISU-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.85
Rot. Bonds4

About N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 110252079) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID110252079
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(NCC1CCOCC1)C1CCN(c2ncccn2)C1
InChIInChI=1S/C15H22N4O2/c20-14(18-10-12-3-8-21-9-4-12)13-2-7-19(11-13)15-16-5-1-6-17-15/h1,5-6,12-13H,2-4,7-11H2,(H,18,20)
InChIKeyLZYVULWIGOEISU-UHFFFAOYSA-N
XLogP0.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
(2R,3aS,7aS)-N-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366487
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783
1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 71703610
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346
N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 131950838
(3R)-N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95826652
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034904
1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94124298

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 110252079) is N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is O=C(NCC1CCOCC1)C1CCN(c2ncccn2)C1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is LZYVULWIGOEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14(18-10-12-3-8-21-9-4-12)13-2-7-19(11-13)15-16-5-1-6-17-15/h1,5-6,12-13H,2-4,7-11H2,(H,18,20).
What are the key properties of N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110252079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).