4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one

C22H29N3O2 — CID 135887646

IUPAC4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one
SMILESCCC1COCCN1Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-19-15-27-12-11-25(19)14-16-7-9-18(10-8-16)22-23-20(13-21(26)24-22)17-5-3-4-6-17/h7-10,13,17,19H,2-6,11-12,14-15H2,1H3,(H,23,24,26)
InChIKeyKMHXQYJYORBNHV-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.71
Rot. Bonds5

About 4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one

4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one (PubChem CID 135887646) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one
PubChem CID135887646
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one
SMILESCCC1COCCN1Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-19-15-27-12-11-25(19)14-16-7-9-18(10-8-16)22-23-20(13-21(26)24-22)17-5-3-4-6-17/h7-10,13,17,19H,2-6,11-12,14-15H2,1H3,(H,23,24,26)
InChIKeyKMHXQYJYORBNHV-UHFFFAOYSA-N
XLogP3.71
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
CID 135914872
4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
CID 136730004
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
[4-[[4-[2-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 136766157
2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975507
4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881746
4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine
CID 103998079
3-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 76909426
4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136682160
2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine
CID 105347112
4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one
CID 136729982
(3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine
CID 70777105

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one (CID 135887646) is 4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one is CCC1COCCN1Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one?
The InChIKey is KMHXQYJYORBNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-19-15-27-12-11-25(19)14-16-7-9-18(10-8-16)22-23-20(13-21(26)24-22)17-5-3-4-6-17/h7-10,13,17,19H,2-6,11-12,14-15H2,1H3,(H,23,24,26).
What are the key properties of 4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one?
4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one has a molecular weight of 367.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135887646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).