4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine

C16H21FN4 — CID 80944222

IUPAC4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCCc2ccc(F)cc2C)n1
InChIInChI=1S/C16H21FN4/c1-3-4-15-20-14(18)10-16(21-15)19-8-7-12-5-6-13(17)9-11(12)2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H3,18,19,20,21)
InChIKeyQWYKGYKOJRKNLJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.11
Rot. Bonds6

About 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine

4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80944222) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80944222
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCCc2ccc(F)cc2C)n1
InChIInChI=1S/C16H21FN4/c1-3-4-15-20-14(18)10-16(21-15)19-8-7-12-5-6-13(17)9-11(12)2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H3,18,19,20,21)
InChIKeyQWYKGYKOJRKNLJ-UHFFFAOYSA-N
XLogP3.11
TPSA63.83 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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80852017
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80852616
N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80926608
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80940431
2-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343133
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80939622
4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 103012384
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80852310
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744
4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954383

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine (CID 80944222) is 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(NCCc2ccc(F)cc2C)n1.
What is the InChIKey of 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is QWYKGYKOJRKNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-3-4-15-20-14(18)10-16(21-15)19-8-7-12-5-6-13(17)9-11(12)2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine?
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80944222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).