N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine

C11H18ClN3O — CID 107846090

IUPACN-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCCCCCCCl)ncn1
InChIInChI=1S/C11H18ClN3O/c1-16-11-8-10(14-9-15-11)13-7-5-3-2-4-6-12/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyXOKWFXAZRFXXGY-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.70
Rot. Bonds8

About N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine

N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine (PubChem CID 107846090) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
PubChem CID107846090
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCCCCCCCl)ncn1
InChIInChI=1S/C11H18ClN3O/c1-16-11-8-10(14-9-15-11)13-7-5-3-2-4-6-12/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyXOKWFXAZRFXXGY-UHFFFAOYSA-N
XLogP2.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
6-methoxy-N-pent-3-ynylpyrimidin-4-amine
CID 116644427
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768
6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66325980
6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 66326198
N-[2-(chloromethyl)-2-ethylbutyl]-6-methoxypyrimidin-4-amine
CID 106252726
1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 115303807

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine?
The IUPAC name of N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine (CID 107846090) is N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine is COc1cc(NCCCCCCCl)ncn1.
What is the InChIKey of N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine?
The InChIKey is XOKWFXAZRFXXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-16-11-8-10(14-9-15-11)13-7-5-3-2-4-6-12/h8-9H,2-7H2,1H3,(H,13,14,15).
What are the key properties of N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine?
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine has a molecular weight of 243.74 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 107846090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).