2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one

C19H17N5O3 — CID 163215463

IUPAC2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)cnc3c(-c4ccc(C)o4)nc(N)nc32)c1
InChIInChI=1S/C19H17N5O3/c1-11-6-7-14(27-11)16-17-18(23-19(20)22-16)24(15(25)9-21-17)10-12-4-3-5-13(8-12)26-2/h3-9H,10H2,1-2H3,(H2,20,22,23)
InChIKeyYOLQTROSRYZZFQ-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one

2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one (PubChem CID 163215463) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one.

Molecular Properties

Compound Name2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one
PubChem CID163215463
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)cnc3c(-c4ccc(C)o4)nc(N)nc32)c1
InChIInChI=1S/C19H17N5O3/c1-11-6-7-14(27-11)16-17-18(23-19(20)22-16)24(15(25)9-21-17)10-12-4-3-5-13(8-12)26-2/h3-9H,10H2,1-2H3,(H2,20,22,23)
InChIKeyYOLQTROSRYZZFQ-UHFFFAOYSA-N
XLogP2.39
TPSA109.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one?
The IUPAC name of 2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one (CID 163215463) is 2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one.
What is the SMILES notation for 2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one?
The canonical SMILES for 2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one is COc1cccc(Cn2c(=O)cnc3c(-c4ccc(C)o4)nc(N)nc32)c1.
What is the InChIKey of 2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one?
The InChIKey is YOLQTROSRYZZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-11-6-7-14(27-11)16-17-18(23-19(20)22-16)24(15(25)9-21-17)10-12-4-3-5-13(8-12)26-2/h3-9H,10H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one?
2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one has a molecular weight of 363.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[(3-methoxyphenyl)methyl]-4-(5-methylfuran-2-yl)pteridin-7-one is sourced from PubChem (CID 163215463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).