4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

C13H18N4O — CID 92723341

IUPAC4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3C[C@H](C)C[C@H](C)C3)c12
InChIInChI=1S/C13H18N4O/c1-8-4-9(2)6-17(5-8)12-11-10(3)16-18-13(11)15-7-14-12/h7-9H,4-6H2,1-3H3/t8-,9+
InChIKeyQPPMQKODPQYCNE-DTORHVGOSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds1

About 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 92723341) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID92723341
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3C[C@H](C)C[C@H](C)C3)c12
InChIInChI=1S/C13H18N4O/c1-8-4-9(2)6-17(5-8)12-11-10(3)16-18-13(11)15-7-14-12/h7-9H,4-6H2,1-3H3/t8-,9+
InChIKeyQPPMQKODPQYCNE-DTORHVGOSA-N
XLogP2.41
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

(3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 63276797
(2R)-2-methyl-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 99836457
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 64618849
N-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-amine
CID 63277049
4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422255
3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
CID 72898476
1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 63595897
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692303
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371898
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 9279863
(5R,7S)-7-methyl-9-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 124743549
4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 102563909

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (CID 92723341) is 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(N3C[C@H](C)C[C@H](C)C3)c12.
What is the InChIKey of 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is QPPMQKODPQYCNE-DTORHVGOSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-4-9(2)6-17(5-8)12-11-10(3)16-18-13(11)15-7-14-12/h7-9H,4-6H2,1-3H3/t8-,9+.
What are the key properties of 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 246.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 92723341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).