(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide

C10H15N5O2 — CID 59474208

IUPAC(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
SMILESCOc1nc(C)nc(N2CCC[C@H]2C(N)=O)n1
InChIInChI=1S/C10H15N5O2/c1-6-12-9(14-10(13-6)17-2)15-5-3-4-7(15)8(11)16/h7H,3-5H2,1-2H3,(H2,11,16)/t7-/m0/s1
InChIKeyKRDBYVVXCZYGII-ZETCQYMHSA-N
MW237.26 g/mol
LogP-0.36
Rot. Bonds3

About (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide

(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 59474208) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
PubChem CID59474208
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
SMILESCOc1nc(C)nc(N2CCC[C@H]2C(N)=O)n1
InChIInChI=1S/C10H15N5O2/c1-6-12-9(14-10(13-6)17-2)15-5-3-4-7(15)8(11)16/h7H,3-5H2,1-2H3,(H2,11,16)/t7-/m0/s1
InChIKeyKRDBYVVXCZYGII-ZETCQYMHSA-N
XLogP-0.36
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide (CID 59474208) is (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide is COc1nc(C)nc(N2CCC[C@H]2C(N)=O)n1.
What is the InChIKey of (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is KRDBYVVXCZYGII-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6-12-9(14-10(13-6)17-2)15-5-3-4-7(15)8(11)16/h7H,3-5H2,1-2H3,(H2,11,16)/t7-/m0/s1.
What are the key properties of (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 59474208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).