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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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).