N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine

C7H9F2N3 — CID 3879659

IUPACN-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine
SMILESCCNc1nc(F)nc(F)c1C
InChIInChI=1S/C7H9F2N3/c1-3-10-6-4(2)5(8)11-7(9)12-6/h3H2,1-2H3,(H,10,11,12)
InChIKeyDDQMRAHBXJHNII-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.50
Rot. Bonds2

About N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine

N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine (PubChem CID 3879659) has the molecular formula C7H9F2N3 and a molecular weight of 173.17 g/mol. Its IUPAC name is N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine
PubChem CID3879659
Molecular FormulaC7H9F2N3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC NameN-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine
SMILESCCNc1nc(F)nc(F)c1C
InChIInChI=1S/C7H9F2N3/c1-3-10-6-4(2)5(8)11-7(9)12-6/h3H2,1-2H3,(H,10,11,12)
InChIKeyDDQMRAHBXJHNII-UHFFFAOYSA-N
XLogP1.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-methylpyrimidin-4-amine
CID 3941302
4-N-butyl-5-iodopyrimidine-2,4,6-triamine
CID 135271000
N,N'-bis(2,5,6-trifluoropyrimidin-4-yl)propane-1,3-diamine
CID 132602373
5-Methylpyrimidine-2,4,6-triamine
CID 3018257
2-Pyrimidinamine, 4,6-difluoro-N-propyl-
CID 9793978
N-butyl-6-fluoro-5-methyl-2-methylsulfanylpyrimidin-4-amine
CID 14516697
6-fluoro-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 20403022
6-fluoro-2-N,2-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 20403023
6-fluoro-2-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 20403026
4,6-Difluoro-2,5-dimethylpyrimidine
CID 20656984
5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine
CID 20705364
5,6-difluoro-N-methylpyrimidin-4-amine
CID 54285406

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine (CID 3879659) is N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine is CCNc1nc(F)nc(F)c1C.
What is the InChIKey of N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine?
The InChIKey is DDQMRAHBXJHNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3/c1-3-10-6-4(2)5(8)11-7(9)12-6/h3H2,1-2H3,(H,10,11,12).
What are the key properties of N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine?
N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine has a molecular weight of 173.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine is sourced from PubChem (CID 3879659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).