4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine

C7H11F2N5 — CID 115409505

IUPAC4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(NCC(F)F)nc(N)n1
InChIInChI=1S/C7H11F2N5/c1-11-5-2-6(12-3-4(8)9)14-7(10)13-5/h2,4H,3H2,1H3,(H4,10,11,12,13,14)
InChIKeyXIJAFYMFPJNVKU-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.78
Rot. Bonds4

About 4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine

4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 115409505) has the molecular formula C7H11F2N5 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID115409505
Molecular FormulaC7H11F2N5
Molecular Weight203.20 g/mol
Exact Mass203.10
IUPAC Name4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(NCC(F)F)nc(N)n1
InChIInChI=1S/C7H11F2N5/c1-11-5-2-6(12-3-4(8)9)14-7(10)13-5/h2,4H,3H2,1H3,(H4,10,11,12,13,14)
InChIKeyXIJAFYMFPJNVKU-UHFFFAOYSA-N
XLogP0.78
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770072
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179284
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide
CID 113293339
6-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4,6-triamine
CID 80848372
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine
CID 115409403
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 114133534
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441
6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80777642

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine (CID 115409505) is 4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine is CNc1cc(NCC(F)F)nc(N)n1.
What is the InChIKey of 4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is XIJAFYMFPJNVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N5/c1-11-5-2-6(12-3-4(8)9)14-7(10)13-5/h2,4H,3H2,1H3,(H4,10,11,12,13,14).
What are the key properties of 4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine?
4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 203.20 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 115409505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).