4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine

C15H20BrN5 — CID 112887204

IUPAC4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2ccnc(NCCN(C)C)n2)cc1Br
InChIInChI=1S/C15H20BrN5/c1-11-4-5-12(10-13(11)16)19-14-6-7-17-15(20-14)18-8-9-21(2)3/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyJBQNVWLBCKRJAC-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.26
Rot. Bonds6

About 4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine

4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (PubChem CID 112887204) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
PubChem CID112887204
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC Name4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2ccnc(NCCN(C)C)n2)cc1Br
InChIInChI=1S/C15H20BrN5/c1-11-4-5-12(10-13(11)16)19-14-6-7-17-15(20-14)18-8-9-21(2)3/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyJBQNVWLBCKRJAC-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-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653412
4-N-(3-bromo-4-methylphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892590
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854
4-N-(3-bromo-4-methylphenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-2,4-diamine
CID 112885613
4-[[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113193789
2-N-[2-(dimethylamino)ethyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887236
2-N-(3-bromo-4-methylphenyl)-4-N-butylpyrimidine-2,4-diamine
CID 112882918
2-N-(1,3-benzodioxol-5-yl)-4-N-(3-bromo-4-methylphenyl)pyrimidine-2,4-diamine
CID 112904503
4-N-(3-bromo-4-methylphenyl)-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112885012
2-N-(3-bromo-4-methylphenyl)-4-N-(3-chlorophenyl)pyrimidine-2,4-diamine
CID 112903672
4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887176
2-N-(3-bromo-4-methylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901813

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (CID 112887204) is 4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is Cc1ccc(Nc2ccnc(NCCN(C)C)n2)cc1Br.
What is the InChIKey of 4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The InChIKey is JBQNVWLBCKRJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c1-11-4-5-12(10-13(11)16)19-14-6-7-17-15(20-14)18-8-9-21(2)3/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-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-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112887204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).