N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine

C14H18N4S — CID 97214431

IUPACN-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine
SMILESCS[C@@H]1CCC[C@@H](Nc2ccc3nccnc3n2)C1
InChIInChI=1S/C14H18N4S/c1-19-11-4-2-3-10(9-11)17-13-6-5-12-14(18-13)16-8-7-15-12/h5-8,10-11H,2-4,9H2,1H3,(H,16,17,18)/t10-,11-/m1/s1
InChIKeyBXDLLFDTVSVYIP-GHMZBOCLSA-N
MW274.39 g/mol
LogP3.11
Rot. Bonds3

About N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine

N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine (PubChem CID 97214431) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine
PubChem CID97214431
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine
SMILESCS[C@@H]1CCC[C@@H](Nc2ccc3nccnc3n2)C1
InChIInChI=1S/C14H18N4S/c1-19-11-4-2-3-10(9-11)17-13-6-5-12-14(18-13)16-8-7-15-12/h5-8,10-11H,2-4,9H2,1H3,(H,16,17,18)/t10-,11-/m1/s1
InChIKeyBXDLLFDTVSVYIP-GHMZBOCLSA-N
XLogP3.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine (CID 97214431) is N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine is CS[C@@H]1CCC[C@@H](Nc2ccc3nccnc3n2)C1.
What is the InChIKey of N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is BXDLLFDTVSVYIP-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H18N4S/c1-19-11-4-2-3-10(9-11)17-13-6-5-12-14(18-13)16-8-7-15-12/h5-8,10-11H,2-4,9H2,1H3,(H,16,17,18)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine?
N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 274.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 97214431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).