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

C13H17N5O2S — CID 175728686

IUPACN-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc3cccnc3n2)CC1
InChIInChI=1S/C13H17N5O2S/c1-21(19,20)18-7-4-11(5-8-18)16-13-15-9-10-3-2-6-14-12(10)17-13/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,14,15,16,17)
InChIKeyDGUHBLNKEPEDPY-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.86
Rot. Bonds3

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

N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 175728686) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
PubChem CID175728686
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc3cccnc3n2)CC1
InChIInChI=1S/C13H17N5O2S/c1-21(19,20)18-7-4-11(5-8-18)16-13-15-9-10-3-2-6-14-12(10)17-13/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,14,15,16,17)
InChIKeyDGUHBLNKEPEDPY-UHFFFAOYSA-N
XLogP0.86
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine (CID 175728686) is N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine is CS(=O)(=O)N1CCC(Nc2ncc3cccnc3n2)CC1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is DGUHBLNKEPEDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-21(19,20)18-7-4-11(5-8-18)16-13-15-9-10-3-2-6-14-12(10)17-13/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,14,15,16,17).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine?
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 307.38 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 175728686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).