2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one

C19H17FN4O2 — CID 146344799

IUPAC2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccccc2F)o1
InChIInChI=1S/C19H17FN4O2/c1-10-7-8-14(26-10)17-15-16(22-19(21)23-17)13(24(2)18(15)25)9-11-5-3-4-6-12(11)20/h3-8,13H,9H2,1-2H3,(H2,21,22,23)
InChIKeyXWBYQAZPPHZIEH-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.14
Rot. Bonds3

About 2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one

2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 146344799) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID146344799
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccccc2F)o1
InChIInChI=1S/C19H17FN4O2/c1-10-7-8-14(26-10)17-15-16(22-19(21)23-17)13(24(2)18(15)25)9-11-5-3-4-6-12(11)20/h3-8,13H,9H2,1-2H3,(H2,21,22,23)
InChIKeyXWBYQAZPPHZIEH-UHFFFAOYSA-N
XLogP3.14
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine-4-carboxamide, 117
CID 11381773
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
2-amino-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
CID 10269418
Pyrimidine-4-carboxamide, 112
CID 44520977
Pyrimidine-4-carboxamide, 113
CID 44520978
Pyrimidine-4-carboxamide, 114
CID 44520979
9-[(2-Fluorophenyl)methyl]-6-(furan-2-yl)purin-2-amine
CID 9857814
2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide
CID 10291405
2-amino-6-(furan-2-yl)-N-(3-methylbenzyl)pyrimidine-4-carboxamide
CID 11162618
2-amino-6-(furan-2-yl)-N-(3-methoxybenzyl)pyrimidine-4-carboxamide
CID 11381738
2-amino-6-(furan-2-yl)-N-(2-methylbenzyl)pyrimidine-4-carboxamide
CID 11392671
2-amino-6-(furan-2-yl)-N-(2-methoxybenzyl)pyrimidine-4-carboxamide
CID 11393155

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 146344799) is 2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)C3Cc2ccccc2F)o1.
What is the InChIKey of 2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is XWBYQAZPPHZIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-10-7-8-14(26-10)17-15-16(22-19(21)23-17)13(24(2)18(15)25)9-11-5-3-4-6-12(11)20/h3-8,13H,9H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one?
2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 352.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(2-fluorophenyl)methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).