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

C14H21N5O2 — CID 137095084

IUPAC4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(C(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C14H21N5O2/c1-11-10-12(20)16-13(15-11)17-6-8-19(9-7-17)14(21)18-4-2-3-5-18/h10H,2-9H2,1H3,(H,15,16,20)
InChIKeyRNHSZRSBCPWMRW-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.42
Rot. Bonds1

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

4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137095084) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137095084
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(C(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C14H21N5O2/c1-11-10-12(20)16-13(15-11)17-6-8-19(9-7-17)14(21)18-4-2-3-5-18/h10H,2-9H2,1H3,(H,15,16,20)
InChIKeyRNHSZRSBCPWMRW-UHFFFAOYSA-N
XLogP0.42
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 137095084) is 4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(C(=O)N3CCCC3)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is RNHSZRSBCPWMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11-10-12(20)16-13(15-11)17-6-8-19(9-7-17)14(21)18-4-2-3-5-18/h10H,2-9H2,1H3,(H,15,16,20).
What are the key properties of 4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 291.35 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137095084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).