2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C18H26N6O3S — CID 92624623

IUPAC2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc([C@@H]2CCCCN2S(=O)(=O)c2c(C)noc2C)nc2c1CNCC2
InChIInChI=1S/C18H26N6O3S/c1-11-16(12(2)27-23-11)28(25,26)24-9-5-4-6-15(24)18-21-14-7-8-20-10-13(14)17(19-3)22-18/h15,20H,4-10H2,1-3H3,(H,19,21,22)/t15-/m0/s1
InChIKeyBMGUFDYDWWUIPY-HNNXBMFYSA-N
MW406.51 g/mol
LogP1.68
Rot. Bonds4

About 2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 92624623) has the molecular formula C18H26N6O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID92624623
Molecular FormulaC18H26N6O3S
Molecular Weight406.51 g/mol
Exact Mass406.18
IUPAC Name2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc([C@@H]2CCCCN2S(=O)(=O)c2c(C)noc2C)nc2c1CNCC2
InChIInChI=1S/C18H26N6O3S/c1-11-16(12(2)27-23-11)28(25,26)24-9-5-4-6-15(24)18-21-14-7-8-20-10-13(14)17(19-3)22-18/h15,20H,4-10H2,1-3H3,(H,19,21,22)/t15-/m0/s1
InChIKeyBMGUFDYDWWUIPY-HNNXBMFYSA-N
XLogP1.68
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 95832416
1-[2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110082221
2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 110265879
5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 56728123
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 110262359
4-[2-(4-chlorophenyl)azepan-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 53096247
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969248
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-2-carbaldehyde
CID 63846213
3,5-dimethyl-4-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95824645
1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110082226
3,5-dimethyl-4-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94159158
3,5-dimethyl-4-[(2S)-2-thiophen-2-ylazepan-1-yl]sulfonyl-1,2-oxazole
CID 93076643

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 92624623) is 2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2c(C)noc2C)nc2c1CNCC2.
What is the InChIKey of 2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is BMGUFDYDWWUIPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N6O3S/c1-11-16(12(2)27-23-11)28(25,26)24-9-5-4-6-15(24)18-21-14-7-8-20-10-13(14)17(19-3)22-18/h15,20H,4-10H2,1-3H3,(H,19,21,22)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 406.51 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 92624623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).