[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone

C20H27N5O — CID 70704523

IUPAC[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cnc(N(C)C)nc2C)C(C)C1
InChIInChI=1S/C20H27N5O/c1-14-8-6-7-9-18(14)24-10-11-25(15(2)13-24)19(26)17-12-21-20(23(4)5)22-16(17)3/h6-9,12,15H,10-11,13H2,1-5H3
InChIKeyAQOIQQYJAPGOTH-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.51
Rot. Bonds3

About [2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone

[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 70704523) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is [2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID70704523
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cnc(N(C)C)nc2C)C(C)C1
InChIInChI=1S/C20H27N5O/c1-14-8-6-7-9-18(14)24-10-11-25(15(2)13-24)19(26)17-12-21-20(23(4)5)22-16(17)3/h6-9,12,15H,10-11,13H2,1-5H3
InChIKeyAQOIQQYJAPGOTH-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone (CID 70704523) is [2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2cnc(N(C)C)nc2C)C(C)C1.
What is the InChIKey of [2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is AQOIQQYJAPGOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-8-6-7-9-18(14)24-10-11-25(15(2)13-24)19(26)17-12-21-20(23(4)5)22-16(17)3/h6-9,12,15H,10-11,13H2,1-5H3.
What are the key properties of [2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone?
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-methylpyrimidin-5-yl]-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70704523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).