1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one

C15H22N6O2 — CID 134796747

IUPAC1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCN(c3ncccn3)CC2)NC1=O
InChIInChI=1S/C15H22N6O2/c1-11(2)21-10-12(18-15(21)23)13(22)19-6-8-20(9-7-19)14-16-4-3-5-17-14/h3-5,11-12H,6-10H2,1-2H3,(H,18,23)
InChIKeyYKVAFLQRBNVFSL-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.07
Rot. Bonds3

About 1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one

1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one (PubChem CID 134796747) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one
PubChem CID134796747
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCN(c3ncccn3)CC2)NC1=O
InChIInChI=1S/C15H22N6O2/c1-11(2)21-10-12(18-15(21)23)13(22)19-6-8-20(9-7-19)14-16-4-3-5-17-14/h3-5,11-12H,6-10H2,1-2H3,(H,18,23)
InChIKeyYKVAFLQRBNVFSL-UHFFFAOYSA-N
XLogP-0.07
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one (CID 134796747) is 1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one is CC(C)N1CC(C(=O)N2CCN(c3ncccn3)CC2)NC1=O.
What is the InChIKey of 1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one?
The InChIKey is YKVAFLQRBNVFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-11(2)21-10-12(18-15(21)23)13(22)19-6-8-20(9-7-19)14-16-4-3-5-17-14/h3-5,11-12H,6-10H2,1-2H3,(H,18,23).
What are the key properties of 1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one?
1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one has a molecular weight of 318.38 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 134796747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).