(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone

C19H22N4O2 — CID 124978298

IUPAC(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc([C@@H]2CNCCN2C(=O)c2cnc(C3CC3)nc2)cc1
InChIInChI=1S/C19H22N4O2/c1-25-16-6-4-13(5-7-16)17-12-20-8-9-23(17)19(24)15-10-21-18(22-11-15)14-2-3-14/h4-7,10-11,14,17,20H,2-3,8-9,12H2,1H3/t17-/m0/s1
InChIKeyLSWVMZYZMIEWIX-KRWDZBQOSA-N
MW338.41 g/mol
LogP2.15
Rot. Bonds4

About (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone

(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 124978298) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID124978298
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc([C@@H]2CNCCN2C(=O)c2cnc(C3CC3)nc2)cc1
InChIInChI=1S/C19H22N4O2/c1-25-16-6-4-13(5-7-16)17-12-20-8-9-23(17)19(24)15-10-21-18(22-11-15)14-2-3-14/h4-7,10-11,14,17,20H,2-3,8-9,12H2,1H3/t17-/m0/s1
InChIKeyLSWVMZYZMIEWIX-KRWDZBQOSA-N
XLogP2.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 124978298) is (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc([C@@H]2CNCCN2C(=O)c2cnc(C3CC3)nc2)cc1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is LSWVMZYZMIEWIX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-16-6-4-13(5-7-16)17-12-20-8-9-23(17)19(24)15-10-21-18(22-11-15)14-2-3-14/h4-7,10-11,14,17,20H,2-3,8-9,12H2,1H3/t17-/m0/s1.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone?
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 124978298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).