4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine

C16H21BrN4 — CID 80986668

IUPAC4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(N(C)Cc2cccc(Br)c2)n1
InChIInChI=1S/C16H21BrN4/c1-4-6-14-19-15(18)11(2)16(20-14)21(3)10-12-7-5-8-13(17)9-12/h5,7-9H,4,6,10H2,1-3H3,(H2,18,19,20)
InChIKeyRNYFHYYHRYHWGL-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.72
Rot. Bonds5

About 4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine

4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80986668) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
PubChem CID80986668
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(N(C)Cc2cccc(Br)c2)n1
InChIInChI=1S/C16H21BrN4/c1-4-6-14-19-15(18)11(2)16(20-14)21(3)10-12-7-5-8-13(17)9-12/h5,7-9H,4,6,10H2,1-3H3,(H2,18,19,20)
InChIKeyRNYFHYYHRYHWGL-UHFFFAOYSA-N
XLogP3.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-benzyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977163
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80986185
3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine
CID 113228946
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80942015
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80982705
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994071
N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80979906
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
N-[(3-bromophenyl)methyl]-5-(chloromethyl)-N,2-dimethylpyrimidin-4-amine
CID 114215414
4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 61415618
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 80983288
4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945613

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine (CID 80986668) is 4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(N(C)Cc2cccc(Br)c2)n1.
What is the InChIKey of 4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is RNYFHYYHRYHWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-4-6-14-19-15(18)11(2)16(20-14)21(3)10-12-7-5-8-13(17)9-12/h5,7-9H,4,6,10H2,1-3H3,(H2,18,19,20).
What are the key properties of 4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 349.28 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).