4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one

C17H26N4O2 — CID 84589617

IUPAC4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one
SMILESCOCc1cc(N2CCN(C3CC3)C(=O)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)16-18-12(11-23-4)9-14(19-16)20-7-8-21(13-5-6-13)15(22)10-20/h9,13H,5-8,10-11H2,1-4H3
InChIKeyPMDZQRHLARYGHR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.73
Rot. Bonds4

About 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one

4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one (PubChem CID 84589617) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one
PubChem CID84589617
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one
SMILESCOCc1cc(N2CCN(C3CC3)C(=O)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)16-18-12(11-23-4)9-14(19-16)20-7-8-21(13-5-6-13)15(22)10-20/h9,13H,5-8,10-11H2,1-4H3
InChIKeyPMDZQRHLARYGHR-UHFFFAOYSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one?
The IUPAC name of 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one (CID 84589617) is 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one.
What is the SMILES notation for 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one?
The canonical SMILES for 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one is COCc1cc(N2CCN(C3CC3)C(=O)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one?
The InChIKey is PMDZQRHLARYGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,3)16-18-12(11-23-4)9-14(19-16)20-7-8-21(13-5-6-13)15(22)10-20/h9,13H,5-8,10-11H2,1-4H3.
What are the key properties of 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one?
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one has a molecular weight of 318.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-1-cyclopropylpiperazin-2-one is sourced from PubChem (CID 84589617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).