2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

C19H14F3N3O3 — CID 146344774

IUPAC2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C19H14F3N3O3/c1-9-6-7-12(27-9)15-14-16(25-18(23)24-15)13(28-17(14)26)8-10-4-2-3-5-11(10)19(20,21)22/h2-7,13H,8H2,1H3,(H2,23,24,25)
InChIKeyQDHKCQNMVUYIEI-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.10
Rot. Bonds3

About 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 146344774) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID146344774
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC Name2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C19H14F3N3O3/c1-9-6-7-12(27-9)15-14-16(25-18(23)24-15)13(28-17(14)26)8-10-4-2-3-5-11(10)19(20,21)22/h2-7,13H,8H2,1H3,(H2,23,24,25)
InChIKeyQDHKCQNMVUYIEI-UHFFFAOYSA-N
XLogP4.10
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (CID 146344774) is 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1.
What is the InChIKey of 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is QDHKCQNMVUYIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c1-9-6-7-12(27-9)15-14-16(25-18(23)24-15)13(28-17(14)26)8-10-4-2-3-5-11(10)19(20,21)22/h2-7,13H,8H2,1H3,(H2,23,24,25).
What are the key properties of 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?
2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 389.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).