5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine

C11H17BrN4 — CID 80838183

IUPAC5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(C)CC2CC2C)n1
InChIInChI=1S/C11H17BrN4/c1-7-4-8(7)6-16(3)10-9(12)5-14-11(13-2)15-10/h5,7-8H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyHJZHNHJXKXHOHM-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.37
Rot. Bonds4

About 5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine

5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80838183) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
PubChem CID80838183
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(C)CC2CC2C)n1
InChIInChI=1S/C11H17BrN4/c1-7-4-8(7)6-16(3)10-9(12)5-14-11(13-2)15-10/h5,7-8H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyHJZHNHJXKXHOHM-UHFFFAOYSA-N
XLogP2.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80839936
5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine
CID 80776307
5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845628
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80818030
5-bromo-2-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80782012
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875751
5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745879
2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80838670
5-bromo-4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80825500
5-bromo-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]pyridine-2,3-diamine
CID 63879585
5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80914649
5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794306

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine (CID 80838183) is 5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine is CNc1ncc(Br)c(N(C)CC2CC2C)n1.
What is the InChIKey of 5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is HJZHNHJXKXHOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-7-4-8(7)6-16(3)10-9(12)5-14-11(13-2)15-10/h5,7-8H,4,6H2,1-3H3,(H,13,14,15).
What are the key properties of 5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine?
5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 285.19 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80838183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).