4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H19F3N4 — CID 114564622

IUPAC4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(C)CC(C)N(C)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H19F3N4/c1-7(2)5-8(3)19(4)10-6-9(12(13,14)15)17-11(16)18-10/h6-8H,5H2,1-4H3,(H2,16,17,18)
InChIKeyHQWWBDBUICKPNR-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.95
Rot. Bonds4

About 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564622) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564622
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(C)CC(C)N(C)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H19F3N4/c1-7(2)5-8(3)19(4)10-6-9(12(13,14)15)17-11(16)18-10/h6-8H,5H2,1-4H3,(H2,16,17,18)
InChIKeyHQWWBDBUICKPNR-UHFFFAOYSA-N
XLogP2.95
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564619
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 114564590
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747535
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 114565428
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564315
4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 82192734
4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403126
4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563542
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564313
2-N,4-N,4-N-trimethyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80810743
4-N-(5-methylhexan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565132
6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
CID 112668103

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564622) is 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CC(C)CC(C)N(C)c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is HQWWBDBUICKPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-7(2)5-8(3)19(4)10-6-9(12(13,14)15)17-11(16)18-10/h6-8H,5H2,1-4H3,(H2,16,17,18).
What are the key properties of 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 276.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).