[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

C21H29N5O — CID 109332044

IUPAC[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCCN(CC)c1nc(C)cc(C(=O)N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C21H29N5O/c1-5-24(6-2)21-22-17(4)15-19(23-21)20(27)26-12-10-25(11-13-26)18-9-7-8-16(3)14-18/h7-9,14-15H,5-6,10-13H2,1-4H3
InChIKeyMHWIYEPRQQMCPS-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.90
Rot. Bonds5

About [2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 109332044) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is [2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID109332044
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCCN(CC)c1nc(C)cc(C(=O)N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C21H29N5O/c1-5-24(6-2)21-22-17(4)15-19(23-21)20(27)26-12-10-25(11-13-26)18-9-7-8-16(3)14-18/h7-9,14-15H,5-6,10-13H2,1-4H3
InChIKeyMHWIYEPRQQMCPS-UHFFFAOYSA-N
XLogP2.90
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322306
N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109098913
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318924
[2-(diethylamino)-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323152
[2-(diethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 71688921
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(diethylamino)pyrimidin-4-yl]methanone
CID 109310432
[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109320855
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319315
N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923477
[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109332039
6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide
CID 109093481
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109361604

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 109332044) is [2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is CCN(CC)c1nc(C)cc(C(=O)N2CCN(c3cccc(C)c3)CC2)n1.
What is the InChIKey of [2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is MHWIYEPRQQMCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-5-24(6-2)21-22-17(4)15-19(23-21)20(27)26-12-10-25(11-13-26)18-9-7-8-16(3)14-18/h7-9,14-15H,5-6,10-13H2,1-4H3.
What are the key properties of [2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 367.50 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109332044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).