4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine

C18H16BrFN4 — CID 112861434

IUPAC4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESFc1ccc(CCNc2cc(Nc3ccc(Br)cc3)ncn2)cc1
InChIInChI=1S/C18H16BrFN4/c19-14-3-7-16(8-4-14)24-18-11-17(22-12-23-18)21-10-9-13-1-5-15(20)6-2-13/h1-8,11-12H,9-10H2,(H2,21,22,23,24)
InChIKeyZAWUMQQSLNTSFD-UHFFFAOYSA-N
MW387.26 g/mol
LogP4.78
Rot. Bonds6

About 4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine

4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 112861434) has the molecular formula C18H16BrFN4 and a molecular weight of 387.26 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID112861434
Molecular FormulaC18H16BrFN4
Molecular Weight387.26 g/mol
Exact Mass386.05
IUPAC Name4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESFc1ccc(CCNc2cc(Nc3ccc(Br)cc3)ncn2)cc1
InChIInChI=1S/C18H16BrFN4/c19-14-3-7-16(8-4-14)24-18-11-17(22-12-23-18)21-10-9-13-1-5-15(20)6-2-13/h1-8,11-12H,9-10H2,(H2,21,22,23,24)
InChIKeyZAWUMQQSLNTSFD-UHFFFAOYSA-N
XLogP4.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861452
4-N-(4-bromophenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861329
4-N-(1,3-benzodioxol-5-yl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861463
6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112855174
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856761
4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864011
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112862560
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
CID 115143046
4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854982
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860201
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112862542
4-N-(3,5-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865264

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine (CID 112861434) is 4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine is Fc1ccc(CCNc2cc(Nc3ccc(Br)cc3)ncn2)cc1.
What is the InChIKey of 4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is ZAWUMQQSLNTSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4/c19-14-3-7-16(8-4-14)24-18-11-17(22-12-23-18)21-10-9-13-1-5-15(20)6-2-13/h1-8,11-12H,9-10H2,(H2,21,22,23,24).
What are the key properties of 4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 387.26 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112861434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).