cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

C20H27N5O2 — CID 110218620

IUPACcyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1noc(-c2cnc(N(C)C)nc2C2CCCCN2C(=O)C2CC2)c1C
InChIInChI=1S/C20H27N5O2/c1-12-13(2)23-27-18(12)15-11-21-20(24(3)4)22-17(15)16-7-5-6-10-25(16)19(26)14-8-9-14/h11,14,16H,5-10H2,1-4H3
InChIKeyUBJUOAUJRPWDFV-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.28
Rot. Bonds4

About cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 110218620) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID110218620
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Namecyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1noc(-c2cnc(N(C)C)nc2C2CCCCN2C(=O)C2CC2)c1C
InChIInChI=1S/C20H27N5O2/c1-12-13(2)23-27-18(12)15-11-21-20(24(3)4)22-17(15)16-7-5-6-10-25(16)19(26)14-8-9-14/h11,14,16H,5-10H2,1-4H3
InChIKeyUBJUOAUJRPWDFV-UHFFFAOYSA-N
XLogP3.28
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92596918
2-cyclopentyl-1-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218512
1-[(2R)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92596924
1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 92596998
(3-chloro-4-fluorophenyl)-[(2R)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 92597031
cyclohexyl-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 92554390
2-cyclopentyl-1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554396
[4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110218490
2-cyclohexyl-1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554398
2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95850470
1-[(2S)-2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 92618010
5-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 92593805

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 110218620) is cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is Cc1noc(-c2cnc(N(C)C)nc2C2CCCCN2C(=O)C2CC2)c1C.
What is the InChIKey of cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is UBJUOAUJRPWDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-12-13(2)23-27-18(12)15-11-21-20(24(3)4)22-17(15)16-7-5-6-10-25(16)19(26)14-8-9-14/h11,14,16H,5-10H2,1-4H3.
What are the key properties of cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110218620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).