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

C16H21FN4 — CID 80939677

IUPAC2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2ccc(F)cc2)nc(CC)n1
InChIInChI=1S/C16H21FN4/c1-3-9-18-15-10-16(21-14(4-2)20-15)19-11-12-5-7-13(17)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyCWNVVFWIHZJOOW-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.61
Rot. Bonds7

About 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine

2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80939677) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80939677
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2ccc(F)cc2)nc(CC)n1
InChIInChI=1S/C16H21FN4/c1-3-9-18-15-10-16(21-14(4-2)20-15)19-11-12-5-7-13(17)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyCWNVVFWIHZJOOW-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-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939052
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80939031
4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934939
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine
CID 82453845
2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935134
5-N-[(4-fluorophenyl)methyl]-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938520
6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine
CID 66859546
2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80939549
6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879209

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80939677) is 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCc2ccc(F)cc2)nc(CC)n1.
What is the InChIKey of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is CWNVVFWIHZJOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-3-9-18-15-10-16(21-14(4-2)20-15)19-11-12-5-7-13(17)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
2-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 2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80939677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).