(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one

C14H22N4O — CID 99929898

IUPAC(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1Cc1ccnc(C(C)C)n1
InChIInChI=1S/C14H22N4O/c1-4-12-14(19)16-7-8-18(12)9-11-5-6-15-13(17-11)10(2)3/h5-6,10,12H,4,7-9H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyWJFJYUBWZIOREA-GFCCVEGCSA-N
MW262.36 g/mol
LogP1.31
Rot. Bonds4

About (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one

(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one (PubChem CID 99929898) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
PubChem CID99929898
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1Cc1ccnc(C(C)C)n1
InChIInChI=1S/C14H22N4O/c1-4-12-14(19)16-7-8-18(12)9-11-5-6-15-13(17-11)10(2)3/h5-6,10,12H,4,7-9H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyWJFJYUBWZIOREA-GFCCVEGCSA-N
XLogP1.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one?
The IUPAC name of (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one (CID 99929898) is (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one is CC[C@@H]1C(=O)NCCN1Cc1ccnc(C(C)C)n1.
What is the InChIKey of (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one?
The InChIKey is WJFJYUBWZIOREA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-12-14(19)16-7-8-18(12)9-11-5-6-15-13(17-11)10(2)3/h5-6,10,12H,4,7-9H2,1-3H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one?
(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 99929898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).