N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine

C11H18ClN3O — CID 104555389

IUPACN-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine
SMILESCCOc1cc(N(C)C(C)CCl)nc(C)n1
InChIInChI=1S/C11H18ClN3O/c1-5-16-11-6-10(13-9(3)14-11)15(4)8(2)7-12/h6,8H,5,7H2,1-4H3
InChIKeyUOXFHEHWYBXHLY-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.25
Rot. Bonds5

About N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine

N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine (PubChem CID 104555389) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine
PubChem CID104555389
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine
SMILESCCOc1cc(N(C)C(C)CCl)nc(C)n1
InChIInChI=1S/C11H18ClN3O/c1-5-16-11-6-10(13-9(3)14-11)15(4)8(2)7-12/h6,8H,5,7H2,1-4H3
InChIKeyUOXFHEHWYBXHLY-UHFFFAOYSA-N
XLogP2.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
CID 66332093
N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 104555444
2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
CID 83834831
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol
CID 66331506
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79110806
methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propan-2-ylamino]acetate
CID 66331702
N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66331918
4-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]butanoic acid
CID 66331682
6-ethoxy-2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
CID 79703231
6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620544
N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine
CID 104555420

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine (CID 104555389) is N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine is CCOc1cc(N(C)C(C)CCl)nc(C)n1.
What is the InChIKey of N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine?
The InChIKey is UOXFHEHWYBXHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-5-16-11-6-10(13-9(3)14-11)15(4)8(2)7-12/h6,8H,5,7H2,1-4H3.
What are the key properties of N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine?
N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine has a molecular weight of 243.74 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 104555389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).