4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine

C10H15ClN4O — CID 106207656

IUPAC4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(OCCC2CCC2)n1
InChIInChI=1S/C10H15ClN4O/c1-12-9-13-8(11)14-10(15-9)16-6-5-7-3-2-4-7/h7H,2-6H2,1H3,(H,12,13,14,15)
InChIKeyMRIGQNPXNJCGSW-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.14
Rot. Bonds5

About 4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 106207656) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine
PubChem CID106207656
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(OCCC2CCC2)n1
InChIInChI=1S/C10H15ClN4O/c1-12-9-13-8(11)14-10(15-9)16-6-5-7-3-2-4-7/h7H,2-6H2,1H3,(H,12,13,14,15)
InChIKeyMRIGQNPXNJCGSW-UHFFFAOYSA-N
XLogP2.14
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-cyclobutylethoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 106207650
4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106207686
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
4-chloro-6-cyclohexyloxy-N-methyl-1,3,5-triazin-2-amine
CID 80858811
4-chloro-N-methyl-6-octoxy-1,3,5-triazin-2-amine
CID 80861536
4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine
CID 80859965
4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 64742173
4-(2-cyclobutylethoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 106207720
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 106014974
6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80847833
4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114137248

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine (CID 106207656) is 4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(OCCC2CCC2)n1.
What is the InChIKey of 4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is MRIGQNPXNJCGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-12-9-13-8(11)14-10(15-9)16-6-5-7-3-2-4-7/h7H,2-6H2,1H3,(H,12,13,14,15).
What are the key properties of 4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106207656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).