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

C14H15F3N4 — CID 102709064

IUPACN-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1-c1cnccc1C(F)(F)F
InChIInChI=1S/C14H15F3N4/c1-3-4-9-12(20-8-21-13(9)18-2)10-7-19-6-5-11(10)14(15,16)17/h5-8H,3-4H2,1-2H3,(H,18,20,21)
InChIKeyJKJXAKYPIDFFIF-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.55
Rot. Bonds4

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

N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 102709064) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
PubChem CID102709064
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC NameN-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1-c1cnccc1C(F)(F)F
InChIInChI=1S/C14H15F3N4/c1-3-4-9-12(20-8-21-13(9)18-2)10-7-19-6-5-11(10)14(15,16)17/h5-8H,3-4H2,1-2H3,(H,18,20,21)
InChIKeyJKJXAKYPIDFFIF-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709055
5-ethyl-N-methyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-amine
CID 66277968
5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
CID 102709103
6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine
CID 104739267
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
N-methyl-5-propyl-6-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 115503443
N-methyl-5-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80857704
4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
CID 20580531
N-methyl-4-(trifluoromethyl)pyridin-3-amine
CID 67229905
4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80788386
4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 102709028
4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80780699

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (CID 102709064) is N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is CCCc1c(NC)ncnc1-c1cnccc1C(F)(F)F.
What is the InChIKey of N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is JKJXAKYPIDFFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-3-4-9-12(20-8-21-13(9)18-2)10-7-19-6-5-11(10)14(15,16)17/h5-8H,3-4H2,1-2H3,(H,18,20,21).
What are the key properties of N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 296.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 102709064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).