8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one

C17H16N4O3 — CID 3232662

IUPAC8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(OC)nc3n(C3CC3)c2=O)cc1
InChIInChI=1S/C17H16N4O3/c1-23-12-7-3-10(4-8-12)14-16(22)21(11-5-6-11)15-13(19-14)9-18-17(20-15)24-2/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyPIJNQHAAIULLNA-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.21
Rot. Bonds4

About 8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one

8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one (PubChem CID 3232662) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one
PubChem CID3232662
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(OC)nc3n(C3CC3)c2=O)cc1
InChIInChI=1S/C17H16N4O3/c1-23-12-7-3-10(4-8-12)14-16(22)21(11-5-6-11)15-13(19-14)9-18-17(20-15)24-2/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyPIJNQHAAIULLNA-UHFFFAOYSA-N
XLogP2.21
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 16115231
(4-Methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2811138
3-Methoxyphenyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 3238602
4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10429933
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide
CID 16115472
(2S)-2-[[5-[acetyl(ethyl)amino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
CID 16678632
N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24830706
N-(2-(2-(3,4-dichlorobenzylamino)-6-(4-methoxyphenyl)-7-oxopteridin-8(7H)-yl)ethyl)acetamide
CID 24970336
N-[2-[2-[(4-chloro-3-fluorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
CID 25094272
N-[2-[2-[(3-chloro-4-fluorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
CID 25094313
2-Amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one
CID 46182743
2-Amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59259002

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one (CID 3232662) is 8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one is COc1ccc(-c2nc3cnc(OC)nc3n(C3CC3)c2=O)cc1.
What is the InChIKey of 8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one?
The InChIKey is PIJNQHAAIULLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-12-7-3-10(4-8-12)14-16(22)21(11-5-6-11)15-13(19-14)9-18-17(20-15)24-2/h3-4,7-9,11H,5-6H2,1-2H3.
What are the key properties of 8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one?
8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one has a molecular weight of 324.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3232662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).