4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C14H16Br2N4 — CID 80800982

IUPAC4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2ccc(Br)cc2Br)c1C(C)C
InChIInChI=1S/C14H16Br2N4/c1-8(2)12-13(17-3)18-7-19-14(12)20-11-5-4-9(15)6-10(11)16/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeyKGHWFCSLNKEZMR-UHFFFAOYSA-N
MW400.12 g/mol
LogP4.91
Rot. Bonds4

About 4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80800982) has the molecular formula C14H16Br2N4 and a molecular weight of 400.12 g/mol. Its IUPAC name is 4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80800982
Molecular FormulaC14H16Br2N4
Molecular Weight400.12 g/mol
Exact Mass397.97
IUPAC Name4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2ccc(Br)cc2Br)c1C(C)C
InChIInChI=1S/C14H16Br2N4/c1-8(2)12-13(17-3)18-7-19-14(12)20-11-5-4-9(15)6-10(11)16/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeyKGHWFCSLNKEZMR-UHFFFAOYSA-N
XLogP4.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.12
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]benzonitrile
CID 107795200
4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80829815
N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80921013
4-N-(2-bromo-3-chlorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 103481929
4-N-(4-bromo-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80748618
4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 107580847
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849992
3-bromo-4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 107795538
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80902212
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-5-bromobenzonitrile
CID 82713314
5-bromo-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 82703603
4-N-(5-bromo-2-chlorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80825284

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80800982) is 4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(Nc2ccc(Br)cc2Br)c1C(C)C.
What is the InChIKey of 4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is KGHWFCSLNKEZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N4/c1-8(2)12-13(17-3)18-7-19-14(12)20-11-5-4-9(15)6-10(11)16/h4-8H,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 400.12 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80800982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).