2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine

C16H27N3O — CID 116776109

IUPAC2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C(OC)C2CCCCC2)nc(C)c1C
InChIInChI=1S/C16H27N3O/c1-5-17-15-11(2)12(3)18-16(19-15)14(20-4)13-9-7-6-8-10-13/h13-14H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyRPBKMNLTCMZFIQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.79
Rot. Bonds5

About 2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine

2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 116776109) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
PubChem CID116776109
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C(OC)C2CCCCC2)nc(C)c1C
InChIInChI=1S/C16H27N3O/c1-5-17-15-11(2)12(3)18-16(19-15)14(20-4)13-9-7-6-8-10-13/h13-14H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyRPBKMNLTCMZFIQ-UHFFFAOYSA-N
XLogP3.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 116776509
2-[cyclohexyl(methoxy)methyl]-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 116776346
5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116776477
2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116775882
6-tert-butyl-2-[cyclopropyl(methoxy)methyl]-N-ethyl-5-iodopyrimidin-4-amine
CID 116729525
4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine
CID 116745974
2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 116729350
3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 116782306
N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 116778665
4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80783839
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine
CID 116775559

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine (CID 116776109) is 2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine is CCNc1nc(C(OC)C2CCCCC2)nc(C)c1C.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is RPBKMNLTCMZFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-17-15-11(2)12(3)18-16(19-15)14(20-4)13-9-7-6-8-10-13/h13-14H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116776109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).