2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine

C12H20ClN5O — CID 62869517

IUPAC2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCCN1CCN(c2nc(Cl)nc(OC(C)C)n2)CC1
InChIInChI=1S/C12H20ClN5O/c1-4-17-5-7-18(8-6-17)11-14-10(13)15-12(16-11)19-9(2)3/h9H,4-8H2,1-3H3
InChIKeyWMCKHYSMZDVRES-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.45
Rot. Bonds4

About 2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 62869517) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID62869517
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCCN1CCN(c2nc(Cl)nc(OC(C)C)n2)CC1
InChIInChI=1S/C12H20ClN5O/c1-4-17-5-7-18(8-6-17)11-14-10(13)15-12(16-11)19-9(2)3/h9H,4-8H2,1-3H3
InChIKeyWMCKHYSMZDVRES-UHFFFAOYSA-N
XLogP1.45
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80761608
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 62862691
1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62863254
1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol
CID 103357380
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865015
7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094680
1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
CID 63595725
2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine
CID 62970401
2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine
CID 62888888
2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine
CID 62870467
2-[4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80898063
1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319615

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine (CID 62869517) is 2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine is CCN1CCN(c2nc(Cl)nc(OC(C)C)n2)CC1.
What is the InChIKey of 2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is WMCKHYSMZDVRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-4-17-5-7-18(8-6-17)11-14-10(13)15-12(16-11)19-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 285.78 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 62869517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).