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

C12H15N5S — CID 95119951

IUPAC(4R)-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-/m1/s1
InChIKeyGRSNYDURDANKOE-SNVBAGLBSA-N
MW261.35 g/mol
LogP1.55
Rot. Bonds3

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

(4R)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 95119951) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is (4R)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID95119951
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name(4R)-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-/m1/s1
InChIKeyGRSNYDURDANKOE-SNVBAGLBSA-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

Analyze (4R)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

(4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95119952
(4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95127660
4-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 165470305
4-ethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 23342292
N-benzyl-5-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]pyrimidin-2-amine
CID 95220632
(4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 1491370
(4R)-4-(6-chloro-3-pyridinyl)-5-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95868264
4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride
CID 70610857
(4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95136988
9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole
CID 95141152
N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 95126635
3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol
CID 165470353

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 95119951) is (4R)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-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 (4R)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is GRSNYDURDANKOE-SNVBAGLBSA-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-/m1/s1.
What are the key properties of (4R)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
(4R)-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 (4R)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 95119951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).