[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone

C20H24N4O3 — CID 91767555

IUPAC[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2cc(C3CC(O)C3)ncn2)CC1
InChIInChI=1S/C20H24N4O3/c1-27-18-5-3-2-4-16(18)20(26)24-8-6-23(7-9-24)19-12-17(21-13-22-19)14-10-15(25)11-14/h2-5,12-15,25H,6-11H2,1H3
InChIKeyXKGKFHBMMCACLT-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.69
Rot. Bonds4

About [4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 91767555) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID91767555
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2cc(C3CC(O)C3)ncn2)CC1
InChIInChI=1S/C20H24N4O3/c1-27-18-5-3-2-4-16(18)20(26)24-8-6-23(7-9-24)19-12-17(21-13-22-19)14-10-15(25)11-14/h2-5,12-15,25H,6-11H2,1H3
InChIKeyXKGKFHBMMCACLT-UHFFFAOYSA-N
XLogP1.69
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755273
(2-methoxyphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700331
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 70702690
(2-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349323
(2,3-dimethoxyphenyl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91892334
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113080152
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511
3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91788147
3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91775817
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
[4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(2-methoxyphenyl)methanone
CID 42872695

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 91767555) is [4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(c2cc(C3CC(O)C3)ncn2)CC1.
What is the InChIKey of [4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is XKGKFHBMMCACLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-18-5-3-2-4-16(18)20(26)24-8-6-23(7-9-24)19-12-17(21-13-22-19)14-10-15(25)11-14/h2-5,12-15,25H,6-11H2,1H3.
What are the key properties of [4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 368.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 91767555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).