4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine

C13H22N4O2 — CID 103702732

IUPAC4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NCC2CCCC(C)C2)nc(OC)n1
InChIInChI=1S/C13H22N4O2/c1-9-5-4-6-10(7-9)8-14-11-15-12(18-2)17-13(16-11)19-3/h9-10H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyROPWOFXWPWUISX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.13
Rot. Bonds5

About 4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine

4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 103702732) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
PubChem CID103702732
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NCC2CCCC(C)C2)nc(OC)n1
InChIInChI=1S/C13H22N4O2/c1-9-5-4-6-10(7-9)8-14-11-15-12(18-2)17-13(16-11)19-3/h9-10H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyROPWOFXWPWUISX-UHFFFAOYSA-N
XLogP2.13
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-ethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 114130959
2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782877
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138427
[4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine
CID 114197438
3-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138779
4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413883
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine
CID 124574787
2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 107415895
4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 107414801
6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine
CID 114129528

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine (CID 103702732) is 4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine is COc1nc(NCC2CCCC(C)C2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is ROPWOFXWPWUISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-5-4-6-10(7-9)8-14-11-15-12(18-2)17-13(16-11)19-3/h9-10H,4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 266.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103702732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).