2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one

C19H17N5O2 — CID 163215471

IUPAC2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCc2ccccc2)o1
InChIInChI=1S/C19H17N5O2/c1-12-7-8-14(26-12)16-17-18(23-19(20)22-16)24(15(25)11-21-17)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,20,22,23)
InChIKeyPKYVCRLAJNNEBJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.58
Rot. Bonds4

About 2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one

2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one (PubChem CID 163215471) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one
PubChem CID163215471
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCc2ccccc2)o1
InChIInChI=1S/C19H17N5O2/c1-12-7-8-14(26-12)16-17-18(23-19(20)22-16)24(15(25)11-21-17)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,20,22,23)
InChIKeyPKYVCRLAJNNEBJ-UHFFFAOYSA-N
XLogP2.58
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one (CID 163215471) is 2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one is Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCc2ccccc2)o1.
What is the InChIKey of 2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one?
The InChIKey is PKYVCRLAJNNEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-7-8-14(26-12)16-17-18(23-19(20)22-16)24(15(25)11-21-17)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,20,22,23).
What are the key properties of 2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one?
2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one has a molecular weight of 347.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methylfuran-2-yl)-8-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 163215471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).