2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C21H29N5O3S — CID 95832416

IUPAC2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)nc2c1CNCC2
InChIInChI=1S/C21H29N5O3S/c1-14-12-15(7-8-19(14)29-3)30(27,28)26-11-5-4-6-18(26)21-24-17-9-10-23-13-16(17)20(22-2)25-21/h7-8,12,18,23H,4-6,9-11,13H2,1-3H3,(H,22,24,25)/t18-/m1/s1
InChIKeyBKPDUPFXVMSNRO-GOSISDBHSA-N
MW431.56 g/mol
LogP2.40
Rot. Bonds5

About 2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 95832416) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID95832416
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)nc2c1CNCC2
InChIInChI=1S/C21H29N5O3S/c1-14-12-15(7-8-19(14)29-3)30(27,28)26-11-5-4-6-18(26)21-24-17-9-10-23-13-16(17)20(22-2)25-21/h7-8,12,18,23H,4-6,9-11,13H2,1-3H3,(H,22,24,25)/t18-/m1/s1
InChIKeyBKPDUPFXVMSNRO-GOSISDBHSA-N
XLogP2.40
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92624702
2-[(2S)-1-[[2-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 92624617
3-[(2S)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 92624870
2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 92558802
3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564730
[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol
CID 116636629
1-[(2R)-2-[7-(3,4-dimethylphenyl)sulfonyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92622985
2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 110262465
N-[[2-[(2S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624187
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725829

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 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) is 2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)nc2c1CNCC2.
What is the InChIKey of 2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is BKPDUPFXVMSNRO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-14-12-15(7-8-19(14)29-3)30(27,28)26-11-5-4-6-18(26)21-24-17-9-10-23-13-16(17)20(22-2)25-21/h7-8,12,18,23H,4-6,9-11,13H2,1-3H3,(H,22,24,25)/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 431.56 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 95832416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).