[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C20H26N4O — CID 109364267

IUPAC[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(C)CC2)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H26N4O/c1-15-9-11-24(12-10-15)20(25)18-13-19(22-16(2)21-18)23(3)14-17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3
InChIKeyCVYQTTVECIAKEH-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.29
Rot. Bonds4

About [6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109364267) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109364267
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(C)CC2)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H26N4O/c1-15-9-11-24(12-10-15)20(25)18-13-19(22-16(2)21-18)23(3)14-17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3
InChIKeyCVYQTTVECIAKEH-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
CID 82299929
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299151
N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869160
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364262
[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362945
6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109369359
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109328238
azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109328241
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322452
6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-2-methylpyrimidine-4-carboxamide
CID 109369353
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364088
[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343534

Frequently Asked Questions

What is the IUPAC name of [6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 109364267) is [6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1nc(C(=O)N2CCC(C)CC2)cc(N(C)Cc2ccccc2)n1.
What is the InChIKey of [6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is CVYQTTVECIAKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-9-11-24(12-10-15)20(25)18-13-19(22-16(2)21-18)23(3)14-17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3.
What are the key properties of [6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109364267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).