2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine

C14H19N5O2S — CID 72932305

IUPAC2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCCS(=O)(=O)N2CCCC2)c2cccnc2n1
InChIInChI=1S/C14H19N5O2S/c1-11-17-13-12(5-4-6-15-13)14(18-11)16-7-10-22(20,21)19-8-2-3-9-19/h4-6H,2-3,7-10H2,1H3,(H,15,16,17,18)
InChIKeyCSKJCTCDWRKBGF-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.17
Rot. Bonds5

About 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine

2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72932305) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID72932305
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCCS(=O)(=O)N2CCCC2)c2cccnc2n1
InChIInChI=1S/C14H19N5O2S/c1-11-17-13-12(5-4-6-15-13)14(18-11)16-7-10-22(20,21)19-8-2-3-9-19/h4-6H,2-3,7-10H2,1H3,(H,15,16,17,18)
InChIKeyCSKJCTCDWRKBGF-UHFFFAOYSA-N
XLogP1.17
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine (CID 72932305) is 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine is Cc1nc(NCCS(=O)(=O)N2CCCC2)c2cccnc2n1.
What is the InChIKey of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is CSKJCTCDWRKBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11-17-13-12(5-4-6-15-13)14(18-11)16-7-10-22(20,21)19-8-2-3-9-19/h4-6H,2-3,7-10H2,1H3,(H,15,16,17,18).
What are the key properties of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine?
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 321.41 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72932305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).