4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine

C7H8F3N3 — CID 84663024

IUPAC4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine
SMILESCc1nc(CC(F)(F)F)ncc1N
InChIInChI=1S/C7H8F3N3/c1-4-5(11)3-12-6(13-4)2-7(8,9)10/h3H,2,11H2,1H3
InChIKeyZZWVVQLJWBOZMP-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.47
Rot. Bonds1

About 4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine

4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine (PubChem CID 84663024) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine
PubChem CID84663024
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine
SMILESCc1nc(CC(F)(F)F)ncc1N
InChIInChI=1S/C7H8F3N3/c1-4-5(11)3-12-6(13-4)2-7(8,9)10/h3H,2,11H2,1H3
InChIKeyZZWVVQLJWBOZMP-UHFFFAOYSA-N
XLogP1.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
CID 174763110
2-(fluoromethyl)-4-methylpyrimidin-5-amine
CID 105428194
ethane;2-ethyl-4-methylpyrimidin-5-amine
CID 142845626
[5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol
CID 126975264
5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66307691
4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile
CID 116646992
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanamine
CID 62745948
4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640
[5,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]hydrazine
CID 62252952
ethyl 4-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylate
CID 102973367
(1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine
CID 103431732
N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62192540

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The IUPAC name of 4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine (CID 84663024) is 4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The canonical SMILES for 4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine is Cc1nc(CC(F)(F)F)ncc1N.
What is the InChIKey of 4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The InChIKey is ZZWVVQLJWBOZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-4-5(11)3-12-6(13-4)2-7(8,9)10/h3H,2,11H2,1H3.
What are the key properties of 4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine has a molecular weight of 191.16 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine is sourced from PubChem (CID 84663024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).