6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine

C16H21FN4 — CID 80940455

IUPAC6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCc2cccc(F)c2)n1
InChIInChI=1S/C16H21FN4/c1-3-6-14-20-15(18-4-2)10-16(21-14)19-11-12-7-5-8-13(17)9-12/h5,7-10H,3-4,6,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyLQAXTHNEVFQAKD-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.61
Rot. Bonds7

About 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80940455) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80940455
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCc2cccc(F)c2)n1
InChIInChI=1S/C16H21FN4/c1-3-6-14-20-15(18-4-2)10-16(21-14)19-11-12-7-5-8-13(17)9-12/h5,7-10H,3-4,6,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyLQAXTHNEVFQAKD-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

2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771670
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80945378
2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80939549
6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942361
6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80950446
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80939622
6-N-ethyl-2-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80955053
N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine
CID 80936579
N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine
CID 82453845

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80940455) is 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(NCc2cccc(F)c2)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is LQAXTHNEVFQAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-3-6-14-20-15(18-4-2)10-16(21-14)19-11-12-7-5-8-13(17)9-12/h5,7-10H,3-4,6,11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-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 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80940455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).