2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C12H14F3N3 — CID 114737971

IUPAC2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1(c2nc3c(c(C(F)(F)F)n2)CNCC3)CC1
InChIInChI=1S/C12H14F3N3/c1-11(3-4-11)10-17-8-2-5-16-6-7(8)9(18-10)12(13,14)15/h16H,2-6H2,1H3
InChIKeyUJOSESXZTFKQST-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.19
Rot. Bonds1

About 2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114737971) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114737971
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1(c2nc3c(c(C(F)(F)F)n2)CNCC3)CC1
InChIInChI=1S/C12H14F3N3/c1-11(3-4-11)10-17-8-2-5-16-6-7(8)9(18-10)12(13,14)15/h16H,2-6H2,1H3
InChIKeyUJOSESXZTFKQST-UHFFFAOYSA-N
XLogP2.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114737971) is 2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC1(c2nc3c(c(C(F)(F)F)n2)CNCC3)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is UJOSESXZTFKQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-11(3-4-11)10-17-8-2-5-16-6-7(8)9(18-10)12(13,14)15/h16H,2-6H2,1H3.
What are the key properties of 2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 257.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114737971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).