5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine

C10H15BrClN3O — CID 106999864

IUPAC5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine
SMILESCCC(CCCl)Nc1ncc(Br)c(OC)n1
InChIInChI=1S/C10H15BrClN3O/c1-3-7(4-5-12)14-10-13-6-8(11)9(15-10)16-2/h6-7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyMEUOJBAPJNRIPK-UHFFFAOYSA-N
MW308.61 g/mol
LogP3.07
Rot. Bonds6

About 5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine

5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine (PubChem CID 106999864) has the molecular formula C10H15BrClN3O and a molecular weight of 308.61 g/mol. Its IUPAC name is 5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine
PubChem CID106999864
Molecular FormulaC10H15BrClN3O
Molecular Weight308.61 g/mol
Exact Mass307.01
IUPAC Name5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine
SMILESCCC(CCCl)Nc1ncc(Br)c(OC)n1
InChIInChI=1S/C10H15BrClN3O/c1-3-7(4-5-12)14-10-13-6-8(11)9(15-10)16-2/h6-7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyMEUOJBAPJNRIPK-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.61
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine
CID 106997925
5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 102809527
5-bromo-N-(4-chloro-2-methylbutan-2-yl)-4-methoxypyrimidin-2-amine
CID 106999872
5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine
CID 106999883
(2S)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]hexanoic acid
CID 122062838
5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 106997660
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
(2R)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propanoic acid
CID 122049940
1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine
CID 106999965
5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine
CID 103746057
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
CID 107269299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine (CID 106999864) is 5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine is CCC(CCCl)Nc1ncc(Br)c(OC)n1.
What is the InChIKey of 5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine?
The InChIKey is MEUOJBAPJNRIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3O/c1-3-7(4-5-12)14-10-13-6-8(11)9(15-10)16-2/h6-7H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine?
5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine has a molecular weight of 308.61 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106999864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).