1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

C14H20N4O2 — CID 91765196

IUPAC1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C3CC(O)C3)ncn2)CC1
InChIInChI=1S/C14H20N4O2/c1-10(19)17-2-4-18(5-3-17)14-8-13(15-9-16-14)11-6-12(20)7-11/h8-9,11-12,20H,2-7H2,1H3
InChIKeyKMHGPZQQRMHJGC-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.38
Rot. Bonds2

About 1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 91765196) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID91765196
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C3CC(O)C3)ncn2)CC1
InChIInChI=1S/C14H20N4O2/c1-10(19)17-2-4-18(5-3-17)14-8-13(15-9-16-14)11-6-12(20)7-11/h8-9,11-12,20H,2-7H2,1H3
InChIKeyKMHGPZQQRMHJGC-UHFFFAOYSA-N
XLogP0.38
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 91765196) is 1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C3CC(O)C3)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is KMHGPZQQRMHJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(19)17-2-4-18(5-3-17)14-8-13(15-9-16-14)11-6-12(20)7-11/h8-9,11-12,20H,2-7H2,1H3.
What are the key properties of 1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 276.34 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 91765196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).