(7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one

C20H15F3N4O2 — CID 146344766

IUPAC(7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)N(C)/C3=C/c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C20H15F3N4O2/c1-10-7-8-14(29-10)17-15-16(25-19(24)26-17)13(27(2)18(15)28)9-11-5-3-4-6-12(11)20(21,22)23/h3-9H,1-2H3,(H2,24,25,26)/b13-9+
InChIKeyMFXMPWKCGXJUSI-UKTHLTGXSA-N
MW400.36 g/mol
LogP4.23
Rot. Bonds2

About (7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one

(7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 146344766) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is (7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name(7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID146344766
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name(7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)N(C)/C3=C/c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C20H15F3N4O2/c1-10-7-8-14(29-10)17-15-16(25-19(24)26-17)13(27(2)18(15)28)9-11-5-3-4-6-12(11)20(21,22)23/h3-9H,1-2H3,(H2,24,25,26)/b13-9+
InChIKeyMFXMPWKCGXJUSI-UKTHLTGXSA-N
XLogP4.23
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one with MolForge

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Related Compounds

2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 10445452
2-amino-6-(furan-2-yl)-N-(2-methylbenzyl)pyrimidine-4-carboxamide
CID 11392671
2-amino-N-(2-fluorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 11483771
2-amino-N-(4-fluorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 45267125
2-Amino-N-benzyl-6-(2-furyl)pyrimidine-4-carboxamide
CID 45267987
2-amino-N-(3-fluorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 45270541
5-(2-Amino-pyrimidin-4-yl)-2-benzofuran-2-yl-1H-pyrrole-3-carboxamide
CID 49788931
2-Amino-4-(5-methylfuran-2-yl)-8-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pteridin-7-one
CID 163215442
2-Amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one
CID 163215446
2-Amino-4-(5-methylfuran-2-yl)-8-(3-phenylpropyl)pteridin-7-one
CID 163215458
2-Amino-4-(5-methylfuran-2-yl)-8-[2-(4-phenylpiperidin-1-yl)ethyl]pteridin-7-one
CID 163215459
2-Amino-4-(5-methylfuran-2-yl)-8-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pteridin-7-one
CID 163215469

Frequently Asked Questions

What is the IUPAC name of (7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of (7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one (CID 146344766) is (7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for (7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for (7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)/C3=C/c2ccccc2C(F)(F)F)o1.
What is the InChIKey of (7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is MFXMPWKCGXJUSI-UKTHLTGXSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-10-7-8-14(29-10)17-15-16(25-19(24)26-17)13(27(2)18(15)28)9-11-5-3-4-6-12(11)20(21,22)23/h3-9H,1-2H3,(H2,24,25,26)/b13-9+.
What are the key properties of (7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one?
(7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 400.36 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).