8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C16H22N4OS — CID 130336839

IUPAC8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n(CCNC3CCCCC3)c2n1
InChIInChI=1S/C16H22N4OS/c1-22-16-18-11-12-7-8-14(21)20(15(12)19-16)10-9-17-13-5-3-2-4-6-13/h7-8,11,13,17H,2-6,9-10H2,1H3
InChIKeyISAPDPREHGSZFE-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.44
Rot. Bonds5

About 8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 130336839) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID130336839
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n(CCNC3CCCCC3)c2n1
InChIInChI=1S/C16H22N4OS/c1-22-16-18-11-12-7-8-14(21)20(15(12)19-16)10-9-17-13-5-3-2-4-6-13/h7-8,11,13,17H,2-6,9-10H2,1H3
InChIKeyISAPDPREHGSZFE-UHFFFAOYSA-N
XLogP2.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 130336839) is 8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2ccc(=O)n(CCNC3CCCCC3)c2n1.
What is the InChIKey of 8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ISAPDPREHGSZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-22-16-18-11-12-7-8-14(21)20(15(12)19-16)10-9-17-13-5-3-2-4-6-13/h7-8,11,13,17H,2-6,9-10H2,1H3.
What are the key properties of 8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 318.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(cyclohexylamino)ethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 130336839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).