4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one

C12H17ClN4O — CID 64693496

IUPAC4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one
SMILESCCCc1c(Cl)ncnc1N1CCN(C)C(=O)C1
InChIInChI=1S/C12H17ClN4O/c1-3-4-9-11(13)14-8-15-12(9)17-6-5-16(2)10(18)7-17/h8H,3-7H2,1-2H3
InChIKeyDUYANXBGKAGZTE-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.36
Rot. Bonds3

About 4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one

4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one (PubChem CID 64693496) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one
PubChem CID64693496
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one
SMILESCCCc1c(Cl)ncnc1N1CCN(C)C(=O)C1
InChIInChI=1S/C12H17ClN4O/c1-3-4-9-11(13)14-8-15-12(9)17-6-5-16(2)10(18)7-17/h8H,3-7H2,1-2H3
InChIKeyDUYANXBGKAGZTE-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one (CID 64693496) is 4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one is CCCc1c(Cl)ncnc1N1CCN(C)C(=O)C1.
What is the InChIKey of 4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one?
The InChIKey is DUYANXBGKAGZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-3-4-9-11(13)14-8-15-12(9)17-6-5-16(2)10(18)7-17/h8H,3-7H2,1-2H3.
What are the key properties of 4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one?
4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one has a molecular weight of 268.75 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64693496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).