5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine

C16H21FN4 — CID 80772654

IUPAC5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2ccc(F)cc2)c1CC
InChIInChI=1S/C16H21FN4/c1-3-9-18-15-14(4-2)16(21-11-20-15)19-10-12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyWGIHUOVCCOOBDO-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.61
Rot. Bonds7

About 5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine

5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80772654) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80772654
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2ccc(F)cc2)c1CC
InChIInChI=1S/C16H21FN4/c1-3-9-18-15-14(4-2)16(21-11-20-15)19-10-12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyWGIHUOVCCOOBDO-UHFFFAOYSA-N
XLogP3.61
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106900980
5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80751201
6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728744
5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898212
5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80818447
6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
CID 146094050
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504
6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine
CID 66859546
5-ethyl-4-N-(3-fluoro-5-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834573
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80911399

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80772654) is 5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCc2ccc(F)cc2)c1CC.
What is the InChIKey of 5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is WGIHUOVCCOOBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-3-9-18-15-14(4-2)16(21-11-20-15)19-10-12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80772654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).