1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

C17H22N6O — CID 110256849

IUPAC1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2cc(Nc3ncccn3)nc(C)n2)C1
InChIInChI=1S/C17H22N6O/c1-3-16(24)23-9-4-6-13(11-23)14-10-15(21-12(2)20-14)22-17-18-7-5-8-19-17/h5,7-8,10,13H,3-4,6,9,11H2,1-2H3,(H,18,19,20,21,22)
InChIKeyXWJOGOCKLJIAIN-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.43
Rot. Bonds4

About 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 110256849) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
PubChem CID110256849
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2cc(Nc3ncccn3)nc(C)n2)C1
InChIInChI=1S/C17H22N6O/c1-3-16(24)23-9-4-6-13(11-23)14-10-15(21-12(2)20-14)22-17-18-7-5-8-19-17/h5,7-8,10,13H,3-4,6,9,11H2,1-2H3,(H,18,19,20,21,22)
InChIKeyXWJOGOCKLJIAIN-UHFFFAOYSA-N
XLogP2.43
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125003739
2-methyl-6-(1-methylpiperidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110255556
1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124959791
1-[(3S)-3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 124999407
2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269979
2-hydroxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820622
3-methyl-1-[(2S)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 95823756
3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 110256839
2-methoxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820518
2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269647
2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine
CID 132764783
2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256403

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 110256849) is 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(c2cc(Nc3ncccn3)nc(C)n2)C1.
What is the InChIKey of 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is XWJOGOCKLJIAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-3-16(24)23-9-4-6-13(11-23)14-10-15(21-12(2)20-14)22-17-18-7-5-8-19-17/h5,7-8,10,13H,3-4,6,9,11H2,1-2H3,(H,18,19,20,21,22).
What are the key properties of 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110256849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).