4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

C9H13F3N4 — CID 80847662

IUPAC4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(N(C)CCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4/c1-6-14-7(13)5-8(15-6)16(2)4-3-9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyNDCGFFRYTDWQNH-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.76
Rot. Bonds3

About 4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (PubChem CID 80847662) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
PubChem CID80847662
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(N(C)CCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4/c1-6-14-7(13)5-8(15-6)16(2)4-3-9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyNDCGFFRYTDWQNH-UHFFFAOYSA-N
XLogP1.76
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine 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,6-N,2-trimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80846708
4-N-butyl-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80753579
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365
6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
4-N-(2,2-dimethoxyethyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 121206010
2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80968252
4-N-[(3-fluorophenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80765017
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
4-N-butyl-4-N-methylpyrimidine-2,4,6-triamine
CID 78982418
4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80775488
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017

Frequently Asked Questions

What is the IUPAC name of 4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (CID 80847662) is 4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is Cc1nc(N)cc(N(C)CCC(F)(F)F)n1.
What is the InChIKey of 4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is NDCGFFRYTDWQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-6-14-7(13)5-8(15-6)16(2)4-3-9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 234.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80847662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).