N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C9H9F6N3 — CID 133272153

IUPACN-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(CCC(F)(F)F)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H9F6N3/c1-18(5-3-8(10,11)12)7-16-4-2-6(17-7)9(13,14)15/h2,4H,3,5H2,1H3
InChIKeySAECXIJQYJTHCU-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.88
Rot. Bonds3

About N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 133272153) has the molecular formula C9H9F6N3 and a molecular weight of 273.18 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID133272153
Molecular FormulaC9H9F6N3
Molecular Weight273.18 g/mol
Exact Mass273.07
IUPAC NameN-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(CCC(F)(F)F)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H9F6N3/c1-18(5-3-8(10,11)12)7-16-4-2-6(17-7)9(13,14)15/h2,4H,3,5H2,1H3
InChIKeySAECXIJQYJTHCU-UHFFFAOYSA-N
XLogP2.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 133272153) is N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CN(CCC(F)(F)F)c1nccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is SAECXIJQYJTHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3/c1-18(5-3-8(10,11)12)7-16-4-2-6(17-7)9(13,14)15/h2,4H,3,5H2,1H3.
What are the key properties of N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 273.18 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 133272153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).