(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone

C13H18ClN3O2 — CID 55032845

IUPAC(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCC(O)CC2)n1
InChIInChI=1S/C13H18ClN3O2/c1-8(2)12-15-7-10(14)11(16-12)13(19)17-5-3-9(18)4-6-17/h7-9,18H,3-6H2,1-2H3
InChIKeyDGNINBZNJFVOPN-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.85
Rot. Bonds2

About (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone

(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 55032845) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID55032845
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCC(O)CC2)n1
InChIInChI=1S/C13H18ClN3O2/c1-8(2)12-15-7-10(14)11(16-12)13(19)17-5-3-9(18)4-6-17/h7-9,18H,3-6H2,1-2H3
InChIKeyDGNINBZNJFVOPN-UHFFFAOYSA-N
XLogP1.85
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-(propan-2-yl)pyrimidine-4-carboxamide
CID 53613703
(5-Chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 56821074
(5-Chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56821165
1,3,4,6,7,8,9,9a-Octahydropyrido[1,2-a]pyrazin-2-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 56821323
(5-Chloropyrimidin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 72104418
5-chloro-2-(diethylamino)-N-(4-hydroxycyclohexyl)pyrimidine-4-carboxamide
CID 75361548
Azepan-1-yl-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanone
CID 45804864
(5-Chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 71927728
(5-chloro-2-methylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72897150
(5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95777217
(5-chloro-2-methylpyrimidin-4-yl)-[(3S,4S)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]methanone
CID 164630373
[(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone
CID 164638280

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 55032845) is (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone is CC(C)c1ncc(Cl)c(C(=O)N2CCC(O)CC2)n1.
What is the InChIKey of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is DGNINBZNJFVOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(2)12-15-7-10(14)11(16-12)13(19)17-5-3-9(18)4-6-17/h7-9,18H,3-6H2,1-2H3.
What are the key properties of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 283.76 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 55032845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).