4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one

C14H20N4O3 — CID 135996276

IUPAC4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C14H20N4O3/c1-7(2)11-16-8(3)10(13(20)17-11)14(21)18-6-5-15-12(19)9(18)4/h7,9H,5-6H2,1-4H3,(H,15,19)(H,16,17,20)
InChIKeyMMNIVBGWBYCQCO-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.16
Rot. Bonds2

About 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one

4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135996276) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135996276
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C14H20N4O3/c1-7(2)11-16-8(3)10(13(20)17-11)14(21)18-6-5-15-12(19)9(18)4/h7,9H,5-6H2,1-4H3,(H,15,19)(H,16,17,20)
InChIKeyMMNIVBGWBYCQCO-UHFFFAOYSA-N
XLogP0.16
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 135996276) is 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one is Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MMNIVBGWBYCQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-7(2)11-16-8(3)10(13(20)17-11)14(21)18-6-5-15-12(19)9(18)4/h7,9H,5-6H2,1-4H3,(H,15,19)(H,16,17,20).
What are the key properties of 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 292.34 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135996276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).