4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine

C15H20BrN5 — CID 112870290

IUPAC4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCN(C)C)cc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C15H20BrN5/c1-11-18-14(17-8-9-21(2)3)10-15(19-11)20-13-6-4-12(16)5-7-13/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyGKQNNEOGNDCZLR-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.26
Rot. Bonds6

About 4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112870290) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112870290
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC Name4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCN(C)C)cc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C15H20BrN5/c1-11-18-14(17-8-9-21(2)3)10-15(19-11)20-13-6-4-12(16)5-7-13/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyGKQNNEOGNDCZLR-UHFFFAOYSA-N
XLogP3.26
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869563
4-N-(4-chlorophenyl)-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870610
4-N-(4-bromo-3-methylphenyl)-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870659
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895
4-N-(4-bromophenyl)-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871986
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589
N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366096
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870195
6-N-[2-(dimethylamino)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870237
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112912839
4-bromo-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122324436
4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857465

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine (CID 112870290) is 4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(NCCN(C)C)cc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of 4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is GKQNNEOGNDCZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c1-11-18-14(17-8-9-21(2)3)10-15(19-11)20-13-6-4-12(16)5-7-13/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 350.26 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112870290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).