N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine

C8H10F3N3 — CID 2796113

IUPACN-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-5(2)13-7-12-4-3-6(14-7)8(9,10)11/h3-5H,1-2H3,(H,12,13,14)
InChIKeySSVFVGRBHSWSPQ-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.32
Rot. Bonds2

About N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine

N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2796113) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2796113
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC NameN-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-5(2)13-7-12-4-3-6(14-7)8(9,10)11/h3-5H,1-2H3,(H,12,13,14)
InChIKeySSVFVGRBHSWSPQ-UHFFFAOYSA-N
XLogP2.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60726904
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 115659006
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60727078
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 65029180
4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine
CID 106357554
N-[1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 43049478
1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
CID 115584173
N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47159154

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine (CID 2796113) is N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine is CC(C)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is SSVFVGRBHSWSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-5(2)13-7-12-4-3-6(14-7)8(9,10)11/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 205.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2796113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).