[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone

C19H24N4O — CID 109322449

IUPAC[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(CNc2nc(C)cc(C(=O)N3CCCCC3)n2)c1
InChIInChI=1S/C19H24N4O/c1-14-7-6-8-16(11-14)13-20-19-21-15(2)12-17(22-19)18(24)23-9-4-3-5-10-23/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H,20,21,22)
InChIKeyGQJFGEHIFRANNV-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.33
Rot. Bonds4

About [6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109322449) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109322449
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(CNc2nc(C)cc(C(=O)N3CCCCC3)n2)c1
InChIInChI=1S/C19H24N4O/c1-14-7-6-8-16(11-14)13-20-19-21-15(2)12-17(22-19)18(24)23-9-4-3-5-10-23/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H,20,21,22)
InChIKeyGQJFGEHIFRANNV-UHFFFAOYSA-N
XLogP3.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326662
[2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322458
azepan-1-yl-[2-[(3,4-dimethoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]methanone
CID 109331752
[2-[(3,4-dimethoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322480
[4-[4-[(3-methylphenyl)methylamino]-6-[4-(piperidine-1-carbonyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-piperidin-1-ylmethanone
CID 142845614
[2-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322506
azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280403
azepan-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]methanone
CID 109331013
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322479
azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone
CID 114220533
N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109327605

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109322449) is [6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is Cc1cccc(CNc2nc(C)cc(C(=O)N3CCCCC3)n2)c1.
What is the InChIKey of [6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is GQJFGEHIFRANNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-7-6-8-16(11-14)13-20-19-21-15(2)12-17(22-19)18(24)23-9-4-3-5-10-23/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H,20,21,22).
What are the key properties of [6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 324.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109322449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).