4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine

C9H14ClN5O — CID 102741266

IUPAC4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine
SMILESCN(CCOc1nc(N)nc(Cl)n1)C1CC1
InChIInChI=1S/C9H14ClN5O/c1-15(6-2-3-6)4-5-16-9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyHPNMPWNWEVMMAT-UHFFFAOYSA-N
MW243.70 g/mol
LogP0.58
Rot. Bonds5

About 4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine

4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine (PubChem CID 102741266) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is 4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine
PubChem CID102741266
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine
SMILESCN(CCOc1nc(N)nc(Cl)n1)C1CC1
InChIInChI=1S/C9H14ClN5O/c1-15(6-2-3-6)4-5-16-9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyHPNMPWNWEVMMAT-UHFFFAOYSA-N
XLogP0.58
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,N-diethyl-1,3,5-triazin-2-amine
CID 102739995
6-[2-[cyclopropyl(methyl)amino]ethoxy]pyrimidine-2,4-diamine
CID 102741225
N-[2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]ethyl]-N-methylcyclopropanamine
CID 102741456
4-chloro-6-hexoxy-1,3,5-triazin-2-amine
CID 80861147
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176504
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methylpyrimidin-2-amine
CID 102741286
6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2,3-diamine
CID 102739784
N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 112750187
N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102740004
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 102741163
N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine
CID 114221377
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
CID 62868290

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine (CID 102741266) is 4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine is CN(CCOc1nc(N)nc(Cl)n1)C1CC1.
What is the InChIKey of 4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine?
The InChIKey is HPNMPWNWEVMMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c1-15(6-2-3-6)4-5-16-9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine?
4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine has a molecular weight of 243.70 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 102741266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).