1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide

C11H16ClN5O2 — CID 55124668

IUPAC1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)Oc1nc(Cl)nc(N2CCCC2C(N)=O)n1
InChIInChI=1S/C11H16ClN5O2/c1-6(2)19-11-15-9(12)14-10(16-11)17-5-3-4-7(17)8(13)18/h6-7H,3-5H2,1-2H3,(H2,13,18)
InChIKeyPWTGPIMVDJHBGK-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.77
Rot. Bonds4

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

1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 55124668) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
PubChem CID55124668
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)Oc1nc(Cl)nc(N2CCCC2C(N)=O)n1
InChIInChI=1S/C11H16ClN5O2/c1-6(2)19-11-15-9(12)14-10(16-11)17-5-3-4-7(17)8(13)18/h6-7H,3-5H2,1-2H3,(H2,13,18)
InChIKeyPWTGPIMVDJHBGK-UHFFFAOYSA-N
XLogP0.77
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.77
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)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide (CID 55124668) is 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide is CC(C)Oc1nc(Cl)nc(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is PWTGPIMVDJHBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-6(2)19-11-15-9(12)14-10(16-11)17-5-3-4-7(17)8(13)18/h6-7H,3-5H2,1-2H3,(H2,13,18).
What are the key properties of 1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 285.74 g/mol, XLogP of 0.77, 4 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)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55124668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).