5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine

C12H19BrN4 — CID 80771027

IUPAC5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NC2CCCCCC2)n1
InChIInChI=1S/C12H19BrN4/c1-14-12-15-8-10(13)11(17-12)16-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyHNUYRKGHYIKUJF-UHFFFAOYSA-N
MW299.22 g/mol
LogP3.42
Rot. Bonds3

About 5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80771027) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
PubChem CID80771027
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NC2CCCCCC2)n1
InChIInChI=1S/C12H19BrN4/c1-14-12-15-8-10(13)11(17-12)16-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyHNUYRKGHYIKUJF-UHFFFAOYSA-N
XLogP3.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(2,2-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80849952
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 80817325
5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366
5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114122167
5-bromo-4-N-(3-ethylpentan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80840430
trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol
CID 99857879
5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80819201
5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine
CID 80919360
5-bromo-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80780154
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919191
5-bromo-2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80812505

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine (CID 80771027) is 5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Br)c(NC2CCCCCC2)n1.
What is the InChIKey of 5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is HNUYRKGHYIKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-14-12-15-8-10(13)11(17-12)16-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 299.22 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80771027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).