2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one

C12H20N4O — CID 136957344

IUPAC2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCCN1CCN(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C12H20N4O/c1-3-4-15-5-7-16(8-6-15)11-9-12(17)14-10(2)13-11/h9H,3-8H2,1-2H3,(H,13,14,17)
InChIKeyBJKHCPHHMHIVKJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.61
Rot. Bonds3

About 2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one

2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957344) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957344
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCCN1CCN(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C12H20N4O/c1-3-4-15-5-7-16(8-6-15)11-9-12(17)14-10(2)13-11/h9H,3-8H2,1-2H3,(H,13,14,17)
InChIKeyBJKHCPHHMHIVKJ-UHFFFAOYSA-N
XLogP0.61
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 136957344) is 2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one is CCCN1CCN(c2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of 2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is BJKHCPHHMHIVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-4-15-5-7-16(8-6-15)11-9-12(17)14-10(2)13-11/h9H,3-8H2,1-2H3,(H,13,14,17).
What are the key properties of 2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one?
2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).