(6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone

C10H14N4O2 — CID 83890550

IUPAC(6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone
SMILESCOc1cc(C(=O)N2CCNCC2)ncn1
InChIInChI=1S/C10H14N4O2/c1-16-9-6-8(12-7-13-9)10(15)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3
InChIKeyGOSZKEGVIDNVDQ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.47
Rot. Bonds2

About (6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone

(6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone (PubChem CID 83890550) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone
PubChem CID83890550
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name(6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone
SMILESCOc1cc(C(=O)N2CCNCC2)ncn1
InChIInChI=1S/C10H14N4O2/c1-16-9-6-8(12-7-13-9)10(15)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3
InChIKeyGOSZKEGVIDNVDQ-UHFFFAOYSA-N
XLogP-0.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone (CID 83890550) is (6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone is COc1cc(C(=O)N2CCNCC2)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone?
The InChIKey is GOSZKEGVIDNVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-9-6-8(12-7-13-9)10(15)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone?
(6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone has a molecular weight of 222.25 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 83890550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).