6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine

C16H21FN4 — CID 80940133

IUPAC6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)c2ccccc2F)nc(CC)n1
InChIInChI=1S/C16H21FN4/c1-4-14-20-15(18-5-2)10-16(21-14)19-11(3)12-8-6-7-9-13(12)17/h6-11H,4-5H2,1-3H3,(H2,18,19,20,21)
InChIKeyGZNNQCAWZUSXAW-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.78
Rot. Bonds6

About 6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine

6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80940133) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID80940133
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)c2ccccc2F)nc(CC)n1
InChIInChI=1S/C16H21FN4/c1-4-14-20-15(18-5-2)10-16(21-14)19-11(3)12-8-6-7-9-13(12)17/h6-11H,4-5H2,1-3H3,(H2,18,19,20,21)
InChIKeyGZNNQCAWZUSXAW-UHFFFAOYSA-N
XLogP3.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584
6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933317
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964999
6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802273
6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80942180
4-N-(2-bromo-6-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107604632
6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80933516
6-N,2-diethyl-4-N-(3-fluoro-4-methylphenyl)pyrimidine-4,6-diamine
CID 80933754
4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137016292
6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80839673
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63586892

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine (CID 80940133) is 6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine is CCNc1cc(NC(C)c2ccccc2F)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is GZNNQCAWZUSXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-4-14-20-15(18-5-2)10-16(21-14)19-11(3)12-8-6-7-9-13(12)17/h6-11H,4-5H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80940133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).