6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one

C13H17ClN2O2 — CID 114584771

IUPAC6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CC1CCCCO1
InChIInChI=1S/C13H17ClN2O2/c14-11-7-12(17)16(13(15-11)9-4-5-9)8-10-3-1-2-6-18-10/h7,9-10H,1-6,8H2
InChIKeyJLVVLZSJMPEWTL-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.34
Rot. Bonds3

About 6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one

6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one (PubChem CID 114584771) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
PubChem CID114584771
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CC1CCCCO1
InChIInChI=1S/C13H17ClN2O2/c14-11-7-12(17)16(13(15-11)9-4-5-9)8-10-3-1-2-6-18-10/h7,9-10H,1-6,8H2
InChIKeyJLVVLZSJMPEWTL-UHFFFAOYSA-N
XLogP2.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
CID 114584626
6-chloro-2-cyclopropyl-3-(3-methylbutyl)pyrimidin-4-one
CID 114584663
6-chloro-2-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one
CID 114584541
2-cyclopropyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859332
2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856641
6-chloro-3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylpyrimidin-4-one
CID 114584507
3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114584749
3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one
CID 114584726
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
5-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrazol-3-one
CID 121214210
3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one
CID 97196072
6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 114582299

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one (CID 114584771) is 6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one is O=c1cc(Cl)nc(C2CC2)n1CC1CCCCO1.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is JLVVLZSJMPEWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-7-12(17)16(13(15-11)9-4-5-9)8-10-3-1-2-6-18-10/h7,9-10H,1-6,8H2.
What are the key properties of 6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 268.74 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114584771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).