2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine

C13H15FN4 — CID 80934677

IUPAC2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C13H15FN4/c1-3-12-16-11(15)8-13(17-12)18(2)10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H2,15,16,17)
InChIKeyFVEHIMOLARLRCD-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.53
Rot. Bonds3

About 2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine

2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80934677) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID80934677
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C13H15FN4/c1-3-12-16-11(15)8-13(17-12)18(2)10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H2,15,16,17)
InChIKeyFVEHIMOLARLRCD-UHFFFAOYSA-N
XLogP2.53
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80957673
4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954620
4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine
CID 80946499
6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942361
2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80934212
4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945613
6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80935558
2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile
CID 80941607
4-N-cyclopropyl-2-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80933693
N-(3-fluorophenyl)-6-hydrazinyl-N-methylpyridin-2-amine
CID 80908775
4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80934393
6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine
CID 80941864

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine (CID 80934677) is 2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine is CCc1nc(N)cc(N(C)c2cccc(F)c2)n1.
What is the InChIKey of 2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is FVEHIMOLARLRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-3-12-16-11(15)8-13(17-12)18(2)10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).