5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one

C11H19N5O — CID 135422761

IUPAC5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(N2CCN(CN)CC2)c(=O)[nH]1
InChIInChI=1S/C11H19N5O/c1-8-10(11(17)14-9(2)13-8)16-5-3-15(7-12)4-6-16/h3-7,12H2,1-2H3,(H,13,14,17)
InChIKeyYKSBIVHAIFIDOJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.58
Rot. Bonds2

About 5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135422761) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135422761
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(N2CCN(CN)CC2)c(=O)[nH]1
InChIInChI=1S/C11H19N5O/c1-8-10(11(17)14-9(2)13-8)16-5-3-15(7-12)4-6-16/h3-7,12H2,1-2H3,(H,13,14,17)
InChIKeyYKSBIVHAIFIDOJ-UHFFFAOYSA-N
XLogP-0.58
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 135422761) is 5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(N2CCN(CN)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is YKSBIVHAIFIDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-10(11(17)14-9(2)13-8)16-5-3-15(7-12)4-6-16/h3-7,12H2,1-2H3,(H,13,14,17).
What are the key properties of 5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)piperazin-1-yl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135422761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).