4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine

C15H19FN4 — CID 80785118

IUPAC4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCCc1ccccc1F
InChIInChI=1S/C15H19FN4/c1-10(2)13-14(17)19-9-20-15(13)18-8-7-11-5-3-4-6-12(11)16/h3-6,9-10H,7-8H2,1-2H3,(H3,17,18,19,20)
InChIKeySBHYGELJYJPFBO-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.98
Rot. Bonds5

About 4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine

4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80785118) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80785118
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCCc1ccccc1F
InChIInChI=1S/C15H19FN4/c1-10(2)13-14(17)19-9-20-15(13)18-8-7-11-5-3-4-6-12(11)16/h3-6,9-10H,7-8H2,1-2H3,(H3,17,18,19,20)
InChIKeySBHYGELJYJPFBO-UHFFFAOYSA-N
XLogP2.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80785119
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
6-chloro-5-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728917
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80790850
N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 43087172
4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908789
4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908901
5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 114072528
4-N-(5-methylsulfanylpentyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 114129044
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine (CID 80785118) is 4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1NCCc1ccccc1F.
What is the InChIKey of 4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is SBHYGELJYJPFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-10(2)13-14(17)19-9-20-15(13)18-8-7-11-5-3-4-6-12(11)16/h3-6,9-10H,7-8H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80785118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).