N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine

C11H14N4S — CID 24777500

IUPACN-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(SCC)nc2ncccc12
InChIInChI=1S/C11H14N4S/c1-3-12-9-8-6-5-7-13-10(8)15-11(14-9)16-4-2/h5-7H,3-4H2,1-2H3,(H,12,13,14,15)
InChIKeyKFAWTRZXNMSVKI-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.57
Rot. Bonds4

About N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine

N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 24777500) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID24777500
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(SCC)nc2ncccc12
InChIInChI=1S/C11H14N4S/c1-3-12-9-8-6-5-7-13-10(8)15-11(14-9)16-4-2/h5-7H,3-4H2,1-2H3,(H,12,13,14,15)
InChIKeyKFAWTRZXNMSVKI-UHFFFAOYSA-N
XLogP2.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine (CID 24777500) is N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine is CCNc1nc(SCC)nc2ncccc12.
What is the InChIKey of N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is KFAWTRZXNMSVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-3-12-9-8-6-5-7-13-10(8)15-11(14-9)16-4-2/h5-7H,3-4H2,1-2H3,(H,12,13,14,15).
What are the key properties of N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 234.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 24777500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).