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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Related Compounds

6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide
CID 135393470
2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide
CID 9949541
2-amino-6-(furan-2-yl)-N-[(4-methylphenyl)methyl]purine-9-carboxamide
CID 10269215
2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide
CID 10269216
2-amino-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
CID 10269418
3-[2-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
CID 72202249
Dipyridodiazepinone deriv. 39
CID 463559
Pyrimidine-4-carboxamide, 91
CID 44520971
Pyrimidine-4-carboxamide, 93
CID 44520972
Pyrimidine-4-carboxamide, 92
CID 44520973

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).