[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

C22H27N7O2 — CID 92581068

IUPAC[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)on1
InChIInChI=1S/C22H27N7O2/c1-14(2)16-11-19(31-27-16)22(30)29-9-5-15(6-10-29)17-12-20(28(3)4)26-21(25-17)18-13-23-7-8-24-18/h7-8,11-15H,5-6,9-10H2,1-4H3
InChIKeyDPFFJFCZPGIFTE-UHFFFAOYSA-N
MW421.51 g/mol
LogP3.13
Rot. Bonds5

About [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 92581068) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID92581068
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)on1
InChIInChI=1S/C22H27N7O2/c1-14(2)16-11-19(31-27-16)22(30)29-9-5-15(6-10-29)17-12-20(28(3)4)26-21(25-17)18-13-23-7-8-24-18/h7-8,11-15H,5-6,9-10H2,1-4H3
InChIKeyDPFFJFCZPGIFTE-UHFFFAOYSA-N
XLogP3.13
TPSA101.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

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]-(5-methyl-1-benzofuran-2-yl)methanone
CID 92560275
1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92585057
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92607070
(2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 92607074
[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 92597486
[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 124993779
[3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 127246886
1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 92607041
[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 124997628
(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70738411
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 92606944

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (CID 92581068) is [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is CC(C)c1cc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)on1.
What is the InChIKey of [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is DPFFJFCZPGIFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-14(2)16-11-19(31-27-16)22(30)29-9-5-15(6-10-29)17-12-20(28(3)4)26-21(25-17)18-13-23-7-8-24-18/h7-8,11-15H,5-6,9-10H2,1-4H3.
What are the key properties of [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 421.51 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 92581068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).