(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one

C18H20N6O2S — CID 58405573

IUPAC(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-c3cnoc3-c3nccs3)nc2N1C(C)C
InChIInChI=1S/C18H20N6O2S/c1-5-12-18(25)23(4)13-9-20-15(22-16(13)24(12)10(2)3)11-8-21-26-14(11)17-19-6-7-27-17/h6-10,12H,5H2,1-4H3/t12-/m1/s1
InChIKeySPUDZLCEPWICPT-GFCCVEGCSA-N
MW384.47 g/mol
LogP3.22
Rot. Bonds4

About (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one

(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one (PubChem CID 58405573) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one
PubChem CID58405573
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-c3cnoc3-c3nccs3)nc2N1C(C)C
InChIInChI=1S/C18H20N6O2S/c1-5-12-18(25)23(4)13-9-20-15(22-16(13)24(12)10(2)3)11-8-21-26-14(11)17-19-6-7-27-17/h6-10,12H,5H2,1-4H3/t12-/m1/s1
InChIKeySPUDZLCEPWICPT-GFCCVEGCSA-N
XLogP3.22
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one with MolForge

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Related Compounds

4-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole
CID 66979577
7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one
CID 67253848
7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one
CID 67260275
(7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 58405428
1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid
CID 67369407
[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid
CID 70922068
(7R)-7-ethyl-5-methyl-2-[1-methyl-5-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-(oxolan-3-yl)-7H-pteridin-6-one
CID 53261978
(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-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;2-(1H-imidazol-2-yl)-1,3-thiazole
CID 159988373
2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 67261109
(7R)-2-(3-amino-4-pyridinyl)-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one;benzenesulfonyl chloride;N-[4-[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 158418365
(7R)-7-ethyl-5-methyl-2-[2-oxo-2-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethyl]-8-propan-2-yl-7H-pteridin-6-one
CID 58405715
5-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carbonitrile
CID 67252236

Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one?
The IUPAC name of (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one (CID 58405573) is (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one.
What is the SMILES notation for (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one?
The canonical SMILES for (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-c3cnoc3-c3nccs3)nc2N1C(C)C.
What is the InChIKey of (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one?
The InChIKey is SPUDZLCEPWICPT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-5-12-18(25)23(4)13-9-20-15(22-16(13)24(12)10(2)3)11-8-21-26-14(11)17-19-6-7-27-17/h6-10,12H,5H2,1-4H3/t12-/m1/s1.
What are the key properties of (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one?
(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one has a molecular weight of 384.47 g/mol, XLogP of 3.22, 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-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one is sourced from PubChem (CID 58405573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).