[6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

C22H31N5O — CID 109352986

IUPAC[6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCCCCN(C)c1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ncn1
InChIInChI=1S/C22H31N5O/c1-5-6-10-25(4)21-15-19(23-16-24-21)22(28)27-13-11-26(12-14-27)20-9-7-8-17(2)18(20)3/h7-9,15-16H,5-6,10-14H2,1-4H3
InChIKeyGCKJWOIYPBTBTJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.29
Rot. Bonds6

About [6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

[6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 109352986) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is [6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID109352986
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name[6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCCCCN(C)c1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ncn1
InChIInChI=1S/C22H31N5O/c1-5-6-10-25(4)21-15-19(23-16-24-21)22(28)27-13-11-26(12-14-27)20-9-7-8-17(2)18(20)3/h7-9,15-16H,5-6,10-14H2,1-4H3
InChIKeyGCKJWOIYPBTBTJ-UHFFFAOYSA-N
XLogP3.29
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

N-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079242
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone
CID 109310419
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 109201209
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346165
[6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109352116
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51174933
(2-butyl-4-methyl-1,3-thiazol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 55684389
1-[4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 112853886
N-butyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109101971

Frequently Asked Questions

What is the IUPAC name of [6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 109352986) is [6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is CCCCN(C)c1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ncn1.
What is the InChIKey of [6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is GCKJWOIYPBTBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-5-6-10-25(4)21-15-19(23-16-24-21)22(28)27-13-11-26(12-14-27)20-9-7-8-17(2)18(20)3/h7-9,15-16H,5-6,10-14H2,1-4H3.
What are the key properties of [6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
[6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 381.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109352986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).