2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one

C20H27N5O — CID 95843491

IUPAC2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)C(C)C)n2)n1
InChIInChI=1S/C20H27N5O/c1-13(2)20(26)25-11-6-5-9-16(25)19-22-15(4)12-18(24-19)23-17-10-7-8-14(3)21-17/h7-8,10,12-13,16H,5-6,9,11H2,1-4H3,(H,21,22,23,24)/t16-/m1/s1
InChIKeyRHPFCHKHXDJJDI-MRXNPFEDSA-N
MW353.47 g/mol
LogP3.94
Rot. Bonds4

About 2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one

2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 95843491) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID95843491
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)C(C)C)n2)n1
InChIInChI=1S/C20H27N5O/c1-13(2)20(26)25-11-6-5-9-16(25)19-22-15(4)12-18(24-19)23-17-10-7-8-14(3)21-17/h7-8,10,12-13,16H,5-6,9,11H2,1-4H3,(H,21,22,23,24)/t16-/m1/s1
InChIKeyRHPFCHKHXDJJDI-MRXNPFEDSA-N
XLogP3.94
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-methoxy-1-[(2S)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 95843739
2-[2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]acetamide
CID 110270011
2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844524
1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 132948528
2-methyl-1-[(2S)-2-[6-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95821484
1-[(2R)-2-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95842240
1-[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 92553004
(E)-3-(1-methylpyrazol-4-yl)-1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 132766132
2-methyl-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 127513725
1-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110269587
2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256273
6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine
CID 110269570

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one (CID 95843491) is 2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one is Cc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)C(C)C)n2)n1.
What is the InChIKey of 2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is RHPFCHKHXDJJDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13(2)20(26)25-11-6-5-9-16(25)19-22-15(4)12-18(24-19)23-17-10-7-8-14(3)21-17/h7-8,10,12-13,16H,5-6,9,11H2,1-4H3,(H,21,22,23,24)/t16-/m1/s1.
What are the key properties of 2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 353.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95843491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).