6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C13H20F3N3 — CID 55131842

IUPAC6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCNc1nc(CC(F)(F)F)nc(C)c1C(C)C
InChIInChI=1S/C13H20F3N3/c1-5-6-17-12-11(8(2)3)9(4)18-10(19-12)7-13(14,15)16/h8H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyPIENJQXOKOGPLK-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.84
Rot. Bonds5

About 6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 55131842) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID55131842
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCNc1nc(CC(F)(F)F)nc(C)c1C(C)C
InChIInChI=1S/C13H20F3N3/c1-5-6-17-12-11(8(2)3)9(4)18-10(19-12)7-13(14,15)16/h8H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyPIENJQXOKOGPLK-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
5-(4-aminobutyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155543587
5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 135260422
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 135271011
Pyrimidine, 2-amino-4-(gamma-diethylaminopropylamino)-5,6-dimethyl-
CID 114146
4-Amino-2-methyl-6-pentafluoroethyl-5-trifluoromethylpyrimidine
CID 2246209
4,5-Dimethyl-2,6-bis(trifluoromethyl)pyrimidine
CID 134855968
(Trimethylpyrimidin-5-yl)methanamine dihydrochloride
CID 75481807

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 55131842) is 6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCNc1nc(CC(F)(F)F)nc(C)c1C(C)C.
What is the InChIKey of 6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is PIENJQXOKOGPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-5-6-17-12-11(8(2)3)9(4)18-10(19-12)7-13(14,15)16/h8H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of 6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 275.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-yl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 55131842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).