5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine

C11H17BrN4 — CID 80784182

IUPAC5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(NCC2CCCCC2)n1
InChIInChI=1S/C11H17BrN4/c12-9-7-15-11(13)16-10(9)14-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16)
InChIKeyMNIKDIFQKVJDPX-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.81
Rot. Bonds3

About 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine

5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine (PubChem CID 80784182) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
PubChem CID80784182
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(NCC2CCCCC2)n1
InChIInChI=1S/C11H17BrN4/c12-9-7-15-11(13)16-10(9)14-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16)
InChIKeyMNIKDIFQKVJDPX-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(cyclopentylmethyl)-2-hydrazinylpyrimidin-4-amine
CID 80894632
5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine
CID 80783168
5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
CID 166723883
5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine
CID 66341211
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
5-bromo-2-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80914415
2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
CID 80766317
5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine
CID 80841053
2-N-(cyclopentylmethyl)-1,3,5-triazine-2,4-diamine
CID 126972390
4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine
CID 80790461
5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813012

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine (CID 80784182) is 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine is Nc1ncc(Br)c(NCC2CCCCC2)n1.
What is the InChIKey of 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine?
The InChIKey is MNIKDIFQKVJDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c12-9-7-15-11(13)16-10(9)14-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16).
What are the key properties of 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine has a molecular weight of 285.19 g/mol, XLogP of 2.81, 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-(cyclohexylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80784182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).