1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one

C18H21N5O — CID 132948528

IUPAC1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCCC1c1nc(C)cc(Nc2ccccn2)n1
InChIInChI=1S/C18H21N5O/c1-3-17(24)23-11-7-5-8-14(23)18-20-13(2)12-16(22-18)21-15-9-4-6-10-19-15/h3-4,6,9-10,12,14H,1,5,7-8,11H2,2H3,(H,19,20,21,22)
InChIKeyBPFCDXMZPBTGKZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.16
Rot. Bonds4

About 1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one

1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 132948528) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one
PubChem CID132948528
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCCC1c1nc(C)cc(Nc2ccccn2)n1
InChIInChI=1S/C18H21N5O/c1-3-17(24)23-11-7-5-8-14(23)18-20-13(2)12-16(22-18)21-15-9-4-6-10-19-15/h3-4,6,9-10,12,14H,1,5,7-8,11H2,2H3,(H,19,20,21,22)
InChIKeyBPFCDXMZPBTGKZ-UHFFFAOYSA-N
XLogP3.16
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(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
6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine
CID 110269570
2-methyl-1-[(2R)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 95843491
cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 95820279
1-[(2R)-2-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95842240
(E)-1-[2-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)prop-2-en-1-one
CID 132766167
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-[(2R)-2-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 95843433
3-(2-methylpyrazol-3-yl)-1-[2-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 171147455
1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 139303509
2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95820261
4-[5,8-dimethyl-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 135338374

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one (CID 132948528) is 1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCCC1c1nc(C)cc(Nc2ccccn2)n1.
What is the InChIKey of 1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is BPFCDXMZPBTGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-17(24)23-11-7-5-8-14(23)18-20-13(2)12-16(22-18)21-15-9-4-6-10-19-15/h3-4,6,9-10,12,14H,1,5,7-8,11H2,2H3,(H,19,20,21,22).
What are the key properties of 1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one?
1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 323.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 132948528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).