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

C15H23N5O2 — CID 137095087

IUPAC4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C(=O)N3CCCC3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C15H23N5O2/c1-11-12(2)16-14(17-13(11)21)18-7-9-20(10-8-18)15(22)19-5-3-4-6-19/h3-10H2,1-2H3,(H,16,17,21)
InChIKeyJCELIRAWOSQZEC-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.72
Rot. Bonds1

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

4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137095087) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137095087
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C(=O)N3CCCC3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C15H23N5O2/c1-11-12(2)16-14(17-13(11)21)18-7-9-20(10-8-18)15(22)19-5-3-4-6-19/h3-10H2,1-2H3,(H,16,17,21)
InChIKeyJCELIRAWOSQZEC-UHFFFAOYSA-N
XLogP0.72
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 137095087) is 4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is Cc1nc(N2CCN(C(=O)N3CCCC3)CC2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is JCELIRAWOSQZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11-12(2)16-14(17-13(11)21)18-7-9-20(10-8-18)15(22)19-5-3-4-6-19/h3-10H2,1-2H3,(H,16,17,21).
What are the key properties of 4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 305.38 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137095087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).