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

C14H13F3N4 — CID 114737994

IUPAC2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1ccnc(-c2nc3c(c(C(F)(F)F)n2)CNCC3)c1
InChIInChI=1S/C14H13F3N4/c1-8-2-5-19-11(6-8)13-20-10-3-4-18-7-9(10)12(21-13)14(15,16)17/h2,5-6,18H,3-4,7H2,1H3
InChIKeySHZRBYJWKHSRTK-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.51
Rot. Bonds1

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

2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114737994) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114737994
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC Name2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1ccnc(-c2nc3c(c(C(F)(F)F)n2)CNCC3)c1
InChIInChI=1S/C14H13F3N4/c1-8-2-5-19-11(6-8)13-20-10-3-4-18-7-9(10)12(21-13)14(15,16)17/h2,5-6,18H,3-4,7H2,1H3
InChIKeySHZRBYJWKHSRTK-UHFFFAOYSA-N
XLogP2.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114737994) is 2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cc1ccnc(-c2nc3c(c(C(F)(F)F)n2)CNCC3)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is SHZRBYJWKHSRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4/c1-8-2-5-19-11(6-8)13-20-10-3-4-18-7-9(10)12(21-13)14(15,16)17/h2,5-6,18H,3-4,7H2,1H3.
What are the key properties of 2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 294.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114737994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).