4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine

C11H17F3N4 — CID 106357554

IUPAC4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine
SMILESCC(C)C(CCN)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4/c1-7(2)8(3-5-15)17-10-16-6-4-9(18-10)11(12,13)14/h4,6-8H,3,5,15H2,1-2H3,(H,16,17,18)
InChIKeyCWDFCTFHYDJTGR-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.28
Rot. Bonds5

About 4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine

4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine (PubChem CID 106357554) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine
PubChem CID106357554
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine
SMILESCC(C)C(CCN)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4/c1-7(2)8(3-5-15)17-10-16-6-4-9(18-10)11(12,13)14/h4,6-8H,3,5,15H2,1-2H3,(H,16,17,18)
InChIKeyCWDFCTFHYDJTGR-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
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-chloro-4,4-dimethylpentan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106354403
(2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol
CID 95315574
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 115659006
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60726904
N-hept-6-en-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 133436124
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
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine
CID 60732509

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine?
The IUPAC name of 4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine (CID 106357554) is 4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine is CC(C)C(CCN)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine?
The InChIKey is CWDFCTFHYDJTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-7(2)8(3-5-15)17-10-16-6-4-9(18-10)11(12,13)14/h4,6-8H,3,5,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine?
4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine is sourced from PubChem (CID 106357554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).