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

C15H25BrN4 — CID 166723883

IUPAC5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
SMILESCCCCNc1ncc(Br)c(NCC2CCCCC2)n1
InChIInChI=1S/C15H25BrN4/c1-2-3-9-17-15-19-11-13(16)14(20-15)18-10-12-7-5-4-6-8-12/h11-12H,2-10H2,1H3,(H2,17,18,19,20)
InChIKeyYRSSKTFMPFSEFY-UHFFFAOYSA-N
MW341.30 g/mol
LogP4.44
Rot. Bonds7

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

5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine (PubChem CID 166723883) has the molecular formula C15H25BrN4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
PubChem CID166723883
Molecular FormulaC15H25BrN4
Molecular Weight341.30 g/mol
Exact Mass340.13
IUPAC Name5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
SMILESCCCCNc1ncc(Br)c(NCC2CCCCC2)n1
InChIInChI=1S/C15H25BrN4/c1-2-3-9-17-15-19-11-13(16)14(20-15)18-10-12-7-5-4-6-8-12/h11-12H,2-10H2,1H3,(H2,17,18,19,20)
InChIKeyYRSSKTFMPFSEFY-UHFFFAOYSA-N
XLogP4.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[[5-bromo-2-(butylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 134163999
5-bromo-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80828904
5-bromo-N-(cyclopentylmethyl)-2-hydrazinylpyrimidin-4-amine
CID 80894632
3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137969
5-bromo-4-N-(2-cyclopentylethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80790917
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
CID 80784182
5-bromo-4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 81046257
5-bromo-2-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80914415
2-(butylamino)-4-(cyclohexylamino)-N-(cyclohexylmethyl)pyrimidine-5-carboxamide
CID 144944262
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine (CID 166723883) is 5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine is CCCCNc1ncc(Br)c(NCC2CCCCC2)n1.
What is the InChIKey of 5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine?
The InChIKey is YRSSKTFMPFSEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4/c1-2-3-9-17-15-19-11-13(16)14(20-15)18-10-12-7-5-4-6-8-12/h11-12H,2-10H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine?
5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine has a molecular weight of 341.30 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 166723883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).