4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine

C17H22N6O — CID 146074366

IUPAC4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCOc1cc(N2CCN(c3cc(C4CCC4)ncn3)CC2)ncn1
InChIInChI=1S/C17H22N6O/c1-24-17-10-16(20-12-21-17)23-7-5-22(6-8-23)15-9-14(18-11-19-15)13-3-2-4-13/h9-13H,2-8H2,1H3
InChIKeyRGZVSDMZFOMHAU-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.87
Rot. Bonds4

About 4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine

4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 146074366) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID146074366
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCOc1cc(N2CCN(c3cc(C4CCC4)ncn3)CC2)ncn1
InChIInChI=1S/C17H22N6O/c1-24-17-10-16(20-12-21-17)23-7-5-22(6-8-23)15-9-14(18-11-19-15)13-3-2-4-13/h9-13H,2-8H2,1H3
InChIKeyRGZVSDMZFOMHAU-UHFFFAOYSA-N
XLogP1.87
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine (CID 146074366) is 4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine is COc1cc(N2CCN(c3cc(C4CCC4)ncn3)CC2)ncn1.
What is the InChIKey of 4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is RGZVSDMZFOMHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-24-17-10-16(20-12-21-17)23-7-5-22(6-8-23)15-9-14(18-11-19-15)13-3-2-4-13/h9-13H,2-8H2,1H3.
What are the key properties of 4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine?
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 326.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 146074366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).