N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine

C15H24ClN3O — CID 103969275

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCC2(CCl)CCCCC2)c1C
InChIInChI=1S/C15H24ClN3O/c1-3-20-14-12(2)13(18-11-19-14)17-10-15(9-16)7-5-4-6-8-15/h11H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyKFQHARIVZAHCPI-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.78
Rot. Bonds6

About N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine

N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine (PubChem CID 103969275) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine
PubChem CID103969275
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCC2(CCl)CCCCC2)c1C
InChIInChI=1S/C15H24ClN3O/c1-3-20-14-12(2)13(18-11-19-14)17-10-15(9-16)7-5-4-6-8-15/h11H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyKFQHARIVZAHCPI-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.78
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

1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 66327090
6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine
CID 114116966
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-ethoxypyrimidin-4-amine
CID 113294686
2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid
CID 66333956
6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
CID 104762708
N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326640
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxypyrimidin-4-amine
CID 115363649
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
N-(1-chloro-2-methylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66325154
methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
CID 66326780
N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326004

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine (CID 103969275) is N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine is CCOc1ncnc(NCC2(CCl)CCCCC2)c1C.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The InChIKey is KFQHARIVZAHCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-20-14-12(2)13(18-11-19-14)17-10-15(9-16)7-5-4-6-8-15/h11H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine?
N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine has a molecular weight of 297.83 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103969275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).