6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine

C16H21FN4 — CID 80957160

IUPAC6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(F)ccc2C)nc(C(C)C)n1
InChIInChI=1S/C16H21FN4/c1-5-18-14-9-15(21-16(20-14)10(2)3)19-13-8-12(17)7-6-11(13)4/h6-10H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeyCFFGVSOTOMQKRA-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.22
Rot. Bonds5

About 6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80957160) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80957160
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(F)ccc2C)nc(C(C)C)n1
InChIInChI=1S/C16H21FN4/c1-5-18-14-9-15(21-16(20-14)10(2)3)19-13-8-12(17)7-6-11(13)4/h6-10H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeyCFFGVSOTOMQKRA-UHFFFAOYSA-N
XLogP4.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 102988989
4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955572
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80939622
6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 107514561
6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 105396158
4-N-(2,4-dibromophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960399
2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762563
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956183
4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958702
6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80938347
2-tert-butyl-4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955594
4-N-(2,6-dichlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959350

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80957160) is 6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(Nc2cc(F)ccc2C)nc(C(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is CFFGVSOTOMQKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-5-18-14-9-15(21-16(20-14)10(2)3)19-13-8-12(17)7-6-11(13)4/h6-10H,5H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 4.22, 5 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-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).