5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

C17H25N5O2S — CID 72840824

IUPAC5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c2c(NCCC3CCCCN3S(C)(=O)=O)ncnc2n1
InChIInChI=1S/C17H25N5O2S/c1-12-10-13(2)21-17-15(12)16(19-11-20-17)18-8-7-14-6-4-5-9-22(14)25(3,23)24/h10-11,14H,4-9H2,1-3H3,(H,18,19,20,21)
InChIKeyOLEHLFKAJNHAOW-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.26
Rot. Bonds5

About 5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72840824) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID72840824
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c2c(NCCC3CCCCN3S(C)(=O)=O)ncnc2n1
InChIInChI=1S/C17H25N5O2S/c1-12-10-13(2)21-17-15(12)16(19-11-20-17)18-8-7-14-6-4-5-9-22(14)25(3,23)24/h10-11,14H,4-9H2,1-3H3,(H,18,19,20,21)
InChIKeyOLEHLFKAJNHAOW-UHFFFAOYSA-N
XLogP2.26
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190031
(3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
CID 97189429
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 72844659
N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine
CID 97137441
cyclopentyl-[4-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 72900199
5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
CID 97200324
(2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 97205363
(2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 97192366
N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 72895054
5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine
CID 72858601
5,7-dimethyl-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190501
2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97436873

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine (CID 72840824) is 5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine is Cc1cc(C)c2c(NCCC3CCCCN3S(C)(=O)=O)ncnc2n1.
What is the InChIKey of 5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is OLEHLFKAJNHAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-12-10-13(2)21-17-15(12)16(19-11-20-17)18-8-7-14-6-4-5-9-22(14)25(3,23)24/h10-11,14H,4-9H2,1-3H3,(H,18,19,20,21).
What are the key properties of 5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 363.49 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72840824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).