(4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C12H15N5S — CID 95119952

IUPAC(4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCSc1ncc([C@@H]2NCCc3[nH]cnc32)cn1
InChIInChI=1S/C12H15N5S/c1-2-18-12-14-5-8(6-15-12)10-11-9(3-4-13-10)16-7-17-11/h5-7,10,13H,2-4H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyGRSNYDURDANKOE-JTQLQIEISA-N
MW261.35 g/mol
LogP1.55
Rot. Bonds3

About (4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

(4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 95119952) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is (4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID95119952
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name(4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCSc1ncc([C@@H]2NCCc3[nH]cnc32)cn1
InChIInChI=1S/C12H15N5S/c1-2-18-12-14-5-8(6-15-12)10-11-9(3-4-13-10)16-7-17-11/h5-7,10,13H,2-4H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyGRSNYDURDANKOE-JTQLQIEISA-N
XLogP1.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of (4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 95119952) is (4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is CCSc1ncc([C@@H]2NCCc3[nH]cnc32)cn1.
What is the InChIKey of (4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is GRSNYDURDANKOE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N5S/c1-2-18-12-14-5-8(6-15-12)10-11-9(3-4-13-10)16-7-17-11/h5-7,10,13H,2-4H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
(4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 261.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 95119952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).