1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol

C11H17ClN4O2 — CID 103357380

IUPAC1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol
SMILESCC(C)Oc1nc(Cl)nc(N2CCC(C)(O)C2)n1
InChIInChI=1S/C11H17ClN4O2/c1-7(2)18-10-14-8(12)13-9(15-10)16-5-4-11(3,17)6-16/h7,17H,4-6H2,1-3H3
InChIKeyQDXVOSOVGLVWAN-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.27
Rot. Bonds3

About 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol

1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol (PubChem CID 103357380) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol
PubChem CID103357380
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol
SMILESCC(C)Oc1nc(Cl)nc(N2CCC(C)(O)C2)n1
InChIInChI=1S/C11H17ClN4O2/c1-7(2)18-10-14-8(12)13-9(15-10)16-5-4-11(3,17)6-16/h7,17H,4-6H2,1-3H3
InChIKeyQDXVOSOVGLVWAN-UHFFFAOYSA-N
XLogP1.27
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol (CID 103357380) is 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol is CC(C)Oc1nc(Cl)nc(N2CCC(C)(O)C2)n1.
What is the InChIKey of 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol?
The InChIKey is QDXVOSOVGLVWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-7(2)18-10-14-8(12)13-9(15-10)16-5-4-11(3,17)6-16/h7,17H,4-6H2,1-3H3.
What are the key properties of 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol?
1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol has a molecular weight of 272.74 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103357380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).