[(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol

C11H19N5O — CID 59474217

IUPAC[(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESCc1nc(N(C)C)nc(N2CCC[C@H]2CO)n1
InChIInChI=1S/C11H19N5O/c1-8-12-10(15(2)3)14-11(13-8)16-6-4-5-9(16)7-17/h9,17H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyUMBOHCHWTWEBPS-VIFPVBQESA-N
MW237.31 g/mol
LogP0.21
Rot. Bonds3

About [(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 59474217) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is [(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID59474217
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name[(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
SMILESCc1nc(N(C)C)nc(N2CCC[C@H]2CO)n1
InChIInChI=1S/C11H19N5O/c1-8-12-10(15(2)3)14-11(13-8)16-6-4-5-9(16)7-17/h9,17H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyUMBOHCHWTWEBPS-VIFPVBQESA-N
XLogP0.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol (CID 59474217) is [(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol is Cc1nc(N(C)C)nc(N2CCC[C@H]2CO)n1.
What is the InChIKey of [(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is UMBOHCHWTWEBPS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-12-10(15(2)3)14-11(13-8)16-6-4-5-9(16)7-17/h9,17H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of [(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 237.31 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 59474217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).