[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C21H28N4O2 — CID 109323130

IUPAC[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1CCNc1nc(C)cc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C21H28N4O2/c1-15-9-12-25(13-10-15)20(26)18-14-16(2)23-21(24-18)22-11-8-17-6-4-5-7-19(17)27-3/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24)
InChIKeyQMVDPYUYMARDSG-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.32
Rot. Bonds6

About [2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109323130) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109323130
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1CCNc1nc(C)cc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C21H28N4O2/c1-15-9-12-25(13-10-15)20(26)18-14-16(2)23-21(24-18)22-11-8-17-6-4-5-7-19(17)27-3/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24)
InChIKeyQMVDPYUYMARDSG-UHFFFAOYSA-N
XLogP3.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326670
[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109330682
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299156
N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109321407
[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324383
(4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109323210
2-[2-(2-methoxyphenyl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109330925
[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300546
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330967
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330945
azepan-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]methanone
CID 109331013
N-(3-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330950

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 109323130) is [2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccccc1CCNc1nc(C)cc(C(=O)N2CCC(C)CC2)n1.
What is the InChIKey of [2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QMVDPYUYMARDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-9-12-25(13-10-15)20(26)18-14-16(2)23-21(24-18)22-11-8-17-6-4-5-7-19(17)27-3/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24).
What are the key properties of [2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109323130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).