3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine

C12H22N4O2 — CID 63200639

IUPAC3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)C(CC)c1nc(OC)nc(OC)n1
InChIInChI=1S/C12H22N4O2/c1-6-9(8(3)13-7-2)10-14-11(17-4)16-12(15-10)18-5/h8-9,13H,6-7H2,1-5H3
InChIKeyKRMZYNSZLCCLIG-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.38
Rot. Bonds7

About 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine

3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine (PubChem CID 63200639) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine
PubChem CID63200639
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)C(CC)c1nc(OC)nc(OC)n1
InChIInChI=1S/C12H22N4O2/c1-6-9(8(3)13-7-2)10-14-11(17-4)16-12(15-10)18-5/h8-9,13H,6-7H2,1-5H3
InChIKeyKRMZYNSZLCCLIG-UHFFFAOYSA-N
XLogP1.38
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-(3-methylpyrazin-2-yl)pentan-2-amine
CID 83062645
N-ethyl-3-(4-methylphenyl)pentan-2-amine
CID 66436565
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)propan-2-ol
CID 63201571
N-ethyl-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612040
4-[2-(ethylamino)pentan-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830506
2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine
CID 23247536
N-ethyl-3-pyrimidin-2-ylbutan-2-amine
CID 63199557
2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine
CID 63205061
N-hexan-3-yl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859814
N-ethyl-4-methoxy-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80858244
3-(5-bromopyrimidin-4-yl)-N-ethylpentan-2-amine
CID 66321176
N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65133728

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine?
The IUPAC name of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine (CID 63200639) is 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine.
What is the SMILES notation for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine?
The canonical SMILES for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine is CCNC(C)C(CC)c1nc(OC)nc(OC)n1.
What is the InChIKey of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine?
The InChIKey is KRMZYNSZLCCLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-6-9(8(3)13-7-2)10-14-11(17-4)16-12(15-10)18-5/h8-9,13H,6-7H2,1-5H3.
What are the key properties of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine?
3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine has a molecular weight of 254.33 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpentan-2-amine is sourced from PubChem (CID 63200639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).