(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one

C18H21N7OS — CID 58405570

IUPAC(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3nccs3)nc2N1C(C)C
InChIInChI=1S/C18H21N7OS/c1-5-12-17(26)23(4)13-10-21-18(22-14(13)25(12)11(2)3)24-8-6-19-15(24)16-20-7-9-27-16/h6-12H,5H2,1-4H3/t12-/m1/s1
InChIKeyIISSNVMWKNPUKD-GFCCVEGCSA-N
MW383.48 g/mol
LogP2.76
Rot. Bonds4

About (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one

(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one (PubChem CID 58405570) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one
PubChem CID58405570
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC Name(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3nccs3)nc2N1C(C)C
InChIInChI=1S/C18H21N7OS/c1-5-12-17(26)23(4)13-10-21-18(22-14(13)25(12)11(2)3)24-8-6-19-15(24)16-20-7-9-27-16/h6-12H,5H2,1-4H3/t12-/m1/s1
InChIKeyIISSNVMWKNPUKD-GFCCVEGCSA-N
XLogP2.76
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one?
The IUPAC name of (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one (CID 58405570) is (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one.
What is the SMILES notation for (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one?
The canonical SMILES for (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3nccs3)nc2N1C(C)C.
What is the InChIKey of (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one?
The InChIKey is IISSNVMWKNPUKD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-5-12-17(26)23(4)13-10-21-18(22-14(13)25(12)11(2)3)24-8-6-19-15(24)16-20-7-9-27-16/h6-12H,5H2,1-4H3/t12-/m1/s1.
What are the key properties of (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one?
(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one has a molecular weight of 383.48 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one is sourced from PubChem (CID 58405570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).