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

C10H16N4O — CID 70907637

IUPAC[(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
SMILESCc1nc(C)nc(N2CCC[C@H]2CO)n1
InChIInChI=1S/C10H16N4O/c1-7-11-8(2)13-10(12-7)14-5-3-4-9(14)6-15/h9,15H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyQJDHBVIWKIDQOW-VIFPVBQESA-N
MW208.26 g/mol
LogP0.45
Rot. Bonds2

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

[(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 70907637) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
PubChem CID70907637
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
SMILESCc1nc(C)nc(N2CCC[C@H]2CO)n1
InChIInChI=1S/C10H16N4O/c1-7-11-8(2)13-10(12-7)14-5-3-4-9(14)6-15/h9,15H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyQJDHBVIWKIDQOW-VIFPVBQESA-N
XLogP0.45
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Pyrrolidinemethanol, 1-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-, monohydrochloride
CID 3080132
6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 84586066
(3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 164633618
[1-(4-Morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
CID 3080133
1-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 75494805
(1S)-1-[(2R)-1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 97787534
(1S)-1-[(2S)-1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 97787535
(1R)-1-[(2R)-1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 100083260
(1R)-1-[(2S)-1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 100083264
[1-[4-(Diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 117085653
[(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
CID 59474201
[(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 59474217

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol (CID 70907637) is [(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol is Cc1nc(C)nc(N2CCC[C@H]2CO)n1.
What is the InChIKey of [(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is QJDHBVIWKIDQOW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-11-8(2)13-10(12-7)14-5-3-4-9(14)6-15/h9,15H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of [(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 208.26 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4,6-dimethyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 70907637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).