(3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one

C15H22N4O — CID 164632929

IUPAC(3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one
SMILESCc1cc(N2CCNC(=O)[C@@H]2C(C)C)nc(C2CC2)n1
InChIInChI=1S/C15H22N4O/c1-9(2)13-15(20)16-6-7-19(13)12-8-10(3)17-14(18-12)11-4-5-11/h8-9,11,13H,4-7H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyVNWUUCLNGDWVRZ-ZDUSSCGKSA-N
MW274.37 g/mol
LogP1.62
Rot. Bonds3

About (3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one

(3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one (PubChem CID 164632929) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one
PubChem CID164632929
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one
SMILESCc1cc(N2CCNC(=O)[C@@H]2C(C)C)nc(C2CC2)n1
InChIInChI=1S/C15H22N4O/c1-9(2)13-15(20)16-6-7-19(13)12-8-10(3)17-14(18-12)11-4-5-11/h8-9,11,13H,4-7H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyVNWUUCLNGDWVRZ-ZDUSSCGKSA-N
XLogP1.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one?
The IUPAC name of (3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one (CID 164632929) is (3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for (3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one is Cc1cc(N2CCNC(=O)[C@@H]2C(C)C)nc(C2CC2)n1.
What is the InChIKey of (3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one?
The InChIKey is VNWUUCLNGDWVRZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O/c1-9(2)13-15(20)16-6-7-19(13)12-8-10(3)17-14(18-12)11-4-5-11/h8-9,11,13H,4-7H2,1-3H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one?
(3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one has a molecular weight of 274.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 164632929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).