1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one

C18H24N6O — CID 92585057

IUPAC1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cc(N(C)C)nc(-c3cnccn3)n2)CC1
InChIInChI=1S/C18H24N6O/c1-4-17(25)24-9-5-13(6-10-24)14-11-16(23(2)3)22-18(21-14)15-12-19-7-8-20-15/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyGVYOEBVBENFVBP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.12
Rot. Bonds4

About 1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one

1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 92585057) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
PubChem CID92585057
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cc(N(C)C)nc(-c3cnccn3)n2)CC1
InChIInChI=1S/C18H24N6O/c1-4-17(25)24-9-5-13(6-10-24)14-11-16(23(2)3)22-18(21-14)15-12-19-7-8-20-15/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyGVYOEBVBENFVBP-UHFFFAOYSA-N
XLogP2.12
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 92607076
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92607070
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92581068
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 92560275
(2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 92607074
1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 92607041
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 92606944
[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 92597486
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 92556138
1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95840915
6-cyclopropyl-N-ethyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 63354437
[4-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 46951458

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 92585057) is 1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2cc(N(C)C)nc(-c3cnccn3)n2)CC1.
What is the InChIKey of 1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is GVYOEBVBENFVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-4-17(25)24-9-5-13(6-10-24)14-11-16(23(2)3)22-18(21-14)15-12-19-7-8-20-15/h7-8,11-13H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one?
1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 340.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92585057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).