5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine

C14H15F3N4 — CID 102709055

IUPAC5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cnccc2C(F)(F)F)c1C
InChIInChI=1S/C14H15F3N4/c1-3-5-19-13-9(2)12(20-8-21-13)10-7-18-6-4-11(10)14(15,16)17/h4,6-8H,3,5H2,1-2H3,(H,19,20,21)
InChIKeyMGCIBSYCKJOKSI-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.69
Rot. Bonds4

About 5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine

5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 102709055) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
PubChem CID102709055
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cnccc2C(F)(F)F)c1C
InChIInChI=1S/C14H15F3N4/c1-3-5-19-13-9(2)12(20-8-21-13)10-7-18-6-4-11(10)14(15,16)17/h4,6-8H,3,5H2,1-2H3,(H,19,20,21)
InChIKeyMGCIBSYCKJOKSI-UHFFFAOYSA-N
XLogP3.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709064
6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 79742436
4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 102709028
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962
5-methyl-6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80975870
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 82802010
5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784371
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
CID 102709103
3,4-dimethyl-N-propylpyridin-2-amine
CID 123894121
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80760533

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (CID 102709055) is 5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is CCCNc1ncnc(-c2cnccc2C(F)(F)F)c1C.
What is the InChIKey of 5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is MGCIBSYCKJOKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-3-5-19-13-9(2)12(20-8-21-13)10-7-18-6-4-11(10)14(15,16)17/h4,6-8H,3,5H2,1-2H3,(H,19,20,21).
What are the key properties of 5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 296.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 102709055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).