[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C14H17N5O2 — CID 124993727

IUPAC[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(N)cc([C@@H]2CCCN2C(=O)c2ocnc2C)n1
InChIInChI=1S/C14H17N5O2/c1-8-13(21-7-16-8)14(20)19-5-3-4-11(19)10-6-12(15)18-9(2)17-10/h6-7,11H,3-5H2,1-2H3,(H2,15,17,18)/t11-/m0/s1
InChIKeyPZVNQANZRVWESP-NSHDSACASA-N
MW287.32 g/mol
LogP1.64
Rot. Bonds2

About [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 124993727) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID124993727
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(N)cc([C@@H]2CCCN2C(=O)c2ocnc2C)n1
InChIInChI=1S/C14H17N5O2/c1-8-13(21-7-16-8)14(20)19-5-3-4-11(19)10-6-12(15)18-9(2)17-10/h6-7,11H,3-5H2,1-2H3,(H2,15,17,18)/t11-/m0/s1
InChIKeyPZVNQANZRVWESP-NSHDSACASA-N
XLogP1.64
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124950827
1-[(2R)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124969312
[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110116761
1-[(2R)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 124953815
(4-methyl-1,3-oxazol-5-yl)-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 110090982
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124953053
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124955176
[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 91920648
ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79487941
methyl (2R)-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79833950
[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124973012
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124986452

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 124993727) is [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1nc(N)cc([C@@H]2CCCN2C(=O)c2ocnc2C)n1.
What is the InChIKey of [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is PZVNQANZRVWESP-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8-13(21-7-16-8)14(20)19-5-3-4-11(19)10-6-12(15)18-9(2)17-10/h6-7,11H,3-5H2,1-2H3,(H2,15,17,18)/t11-/m0/s1.
What are the key properties of [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 287.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 124993727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).