N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine

C12H18F3N3 — CID 64586091

IUPACN,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine
SMILESCNC(C)C(c1nccc(C(F)(F)F)n1)C(C)C
InChIInChI=1S/C12H18F3N3/c1-7(2)10(8(3)16-4)11-17-6-5-9(18-11)12(13,14)15/h5-8,10,16H,1-4H3
InChIKeySSLJTHWWPOVDQQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.84
Rot. Bonds4

About N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine

N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine (PubChem CID 64586091) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine
PubChem CID64586091
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine
SMILESCNC(C)C(c1nccc(C(F)(F)F)n1)C(C)C
InChIInChI=1S/C12H18F3N3/c1-7(2)10(8(3)16-4)11-17-6-5-9(18-11)12(13,14)15/h5-8,10,16H,1-4H3
InChIKeySSLJTHWWPOVDQQ-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine?
The IUPAC name of N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine (CID 64586091) is N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine.
What is the SMILES notation for N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine?
The canonical SMILES for N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine is CNC(C)C(c1nccc(C(F)(F)F)n1)C(C)C.
What is the InChIKey of N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine?
The InChIKey is SSLJTHWWPOVDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-7(2)10(8(3)16-4)11-17-6-5-9(18-11)12(13,14)15/h5-8,10,16H,1-4H3.
What are the key properties of N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine?
N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]pentan-2-amine is sourced from PubChem (CID 64586091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).