4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H18BrFN4 — CID 80955572

IUPAC4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(Br)cc2F)nc(C(C)C)n1
InChIInChI=1S/C15H18BrFN4/c1-4-18-13-8-14(21-15(20-13)9(2)3)19-12-6-5-10(16)7-11(12)17/h5-9H,4H2,1-3H3,(H2,18,19,20,21)
InChIKeyPIGODYGCBCBVIP-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.68
Rot. Bonds5

About 4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80955572) has the molecular formula C15H18BrFN4 and a molecular weight of 353.24 g/mol. Its IUPAC name is 4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80955572
Molecular FormulaC15H18BrFN4
Molecular Weight353.24 g/mol
Exact Mass352.07
IUPAC Name4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(Br)cc2F)nc(C(C)C)n1
InChIInChI=1S/C15H18BrFN4/c1-4-18-13-8-14(21-15(20-13)9(2)3)19-12-6-5-10(16)7-11(12)17/h5-9H,4H2,1-3H3,(H2,18,19,20,21)
InChIKeyPIGODYGCBCBVIP-UHFFFAOYSA-N
XLogP4.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,4-dibromophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960399
4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958702
4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955693
2-N-(4-bromo-2-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80759491
6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957160
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80960649
4-N-(4-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80801126
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956183
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80965984
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 4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80955572) is 4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccc(Br)cc2F)nc(C(C)C)n1.
What is the InChIKey of 4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is PIGODYGCBCBVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN4/c1-4-18-13-8-14(21-15(20-13)9(2)3)19-12-6-5-10(16)7-11(12)17/h5-9H,4H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 353.24 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).