2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine

C9H9F3N2O — CID 22943724

IUPAC2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
SMILESCc1nc2c(c(C(F)(F)F)n1)CCCO2
InChIInChI=1S/C9H9F3N2O/c1-5-13-7(9(10,11)12)6-3-2-4-15-8(6)14-5/h2-4H2,1H3
InChIKeyBNTBVEIWJCQIAG-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.13
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine

2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine (PubChem CID 22943724) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
PubChem CID22943724
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
SMILESCc1nc2c(c(C(F)(F)F)n1)CCCO2
InChIInChI=1S/C9H9F3N2O/c1-5-13-7(9(10,11)12)6-3-2-4-15-8(6)14-5/h2-4H2,1H3
InChIKeyBNTBVEIWJCQIAG-UHFFFAOYSA-N
XLogP2.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine (CID 22943724) is 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine is Cc1nc2c(c(C(F)(F)F)n1)CCCO2.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The InChIKey is BNTBVEIWJCQIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-5-13-7(9(10,11)12)6-3-2-4-15-8(6)14-5/h2-4H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine has a molecular weight of 218.18 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine is sourced from PubChem (CID 22943724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).