2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one

C20H19N5O2 — CID 163215458

IUPAC2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCCc2ccccc2)o1
InChIInChI=1S/C20H19N5O2/c1-13-9-10-15(27-13)17-18-19(24-20(21)23-17)25(16(26)12-22-18)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H2,21,23,24)
InChIKeyCMWXSRYHPVUFTA-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.97
Rot. Bonds5

About 2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one

2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one (PubChem CID 163215458) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one.

Molecular Properties

Compound Name2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one
PubChem CID163215458
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCCc2ccccc2)o1
InChIInChI=1S/C20H19N5O2/c1-13-9-10-15(27-13)17-18-19(24-20(21)23-17)25(16(26)12-22-18)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H2,21,23,24)
InChIKeyCMWXSRYHPVUFTA-UHFFFAOYSA-N
XLogP2.97
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.97
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-(3-phenylpropyl)pteridin-7-one?
The IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one (CID 163215458) is 2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one.
What is the SMILES notation for 2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one?
The canonical SMILES for 2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one is Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3CCCc2ccccc2)o1.
What is the InChIKey of 2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one?
The InChIKey is CMWXSRYHPVUFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-9-10-15(27-13)17-18-19(24-20(21)23-17)25(16(26)12-22-18)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H2,21,23,24).
What are the key properties of 2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one?
2-amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one has a molecular weight of 361.41 g/mol, XLogP of 2.97, 5 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-(3-phenylpropyl)pteridin-7-one is sourced from PubChem (CID 163215458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).