[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine

C15H14F3N3O2 — CID 168825447

IUPAC[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine
SMILESNCc1nc2c(c(-c3ccc(OC(F)(F)F)cc3)n1)CCCO2
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)23-10-5-3-9(4-6-10)13-11-2-1-7-22-14(11)21-12(8-19)20-13/h3-6H,1-2,7-8,19H2
InChIKeyYYRNLKCFBDTGEH-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.83
Rot. Bonds3

About [4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine

[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine (PubChem CID 168825447) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is [4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine
PubChem CID168825447
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine
SMILESNCc1nc2c(c(-c3ccc(OC(F)(F)F)cc3)n1)CCCO2
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)23-10-5-3-9(4-6-10)13-11-2-1-7-22-14(11)21-12(8-19)20-13/h3-6H,1-2,7-8,19H2
InChIKeyYYRNLKCFBDTGEH-UHFFFAOYSA-N
XLogP2.83
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 141360128
2-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]methyl]prop-2-enamide
CID 175885983
[5-methyl-4-prop-1-ynylsulfanyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]methanamine
CID 168904645
[5-methyl-4-[(E)-3-methylpent-2-en-2-yl]sulfanyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]methanamine
CID 168904610
[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol
CID 23205017
[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride
CID 157332265
[1-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-pyridin-6-yl]methanamine
CID 69036501
[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 133089338
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 50928509
4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 134791727
5-bromo-2-(bromomethyl)-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 58956218
2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine
CID 62076679

Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine?
The IUPAC name of [4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine (CID 168825447) is [4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine is NCc1nc2c(c(-c3ccc(OC(F)(F)F)cc3)n1)CCCO2.
What is the InChIKey of [4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine?
The InChIKey is YYRNLKCFBDTGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)23-10-5-3-9(4-6-10)13-11-2-1-7-22-14(11)21-12(8-19)20-13/h3-6H,1-2,7-8,19H2.
What are the key properties of [4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine?
[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine has a molecular weight of 325.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine is sourced from PubChem (CID 168825447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).