N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine

C11H18ClN3O — CID 66327004

IUPACN-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NC(CC)CCl)c1C
InChIInChI=1S/C11H18ClN3O/c1-4-9(6-12)15-10-8(3)11(16-5-2)14-7-13-10/h7,9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyVBNCLFNKGVWPOB-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.61
Rot. Bonds6

About N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine

N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine (PubChem CID 66327004) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
PubChem CID66327004
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NC(CC)CCl)c1C
InChIInChI=1S/C11H18ClN3O/c1-4-9(6-12)15-10-8(3)11(16-5-2)14-7-13-10/h7,9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyVBNCLFNKGVWPOB-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.61
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

N-(1-chloro-4-methylpentan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327825
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 66324830
6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66325620
N-(2-chloro-1-phenylethyl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327620
N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 113457874
N-(1-chloro-2-methylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66325154
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 66326146
6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine
CID 66327459
N-[4-(chloromethyl)phenyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327619
6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine
CID 66325636
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine (CID 66327004) is N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine is CCOc1ncnc(NC(CC)CCl)c1C.
What is the InChIKey of N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine?
The InChIKey is VBNCLFNKGVWPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-9(6-12)15-10-8(3)11(16-5-2)14-7-13-10/h7,9H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine?
N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine has a molecular weight of 243.74 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66327004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).