2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine

C10H13N5O — CID 59474182

IUPAC2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine
SMILES[C-]#[N+][C@@H]1CCCN1c1nc(C)nc(OC)n1
InChIInChI=1S/C10H13N5O/c1-7-12-9(14-10(13-7)16-3)15-6-4-5-8(15)11-2/h8H,4-6H2,1,3H3/t8-/m0/s1
InChIKeyYWSCHCUAAGXLCO-QMMMGPOBSA-N
MW219.25 g/mol
LogP1.03
Rot. Bonds2

About 2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine

2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine (PubChem CID 59474182) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine
PubChem CID59474182
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine
SMILES[C-]#[N+][C@@H]1CCCN1c1nc(C)nc(OC)n1
InChIInChI=1S/C10H13N5O/c1-7-12-9(14-10(13-7)16-3)15-6-4-5-8(15)11-2/h8H,4-6H2,1,3H3/t8-/m0/s1
InChIKeyYWSCHCUAAGXLCO-QMMMGPOBSA-N
XLogP1.03
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-(Diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
CID 672105
4-Methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 714436
N,N,4-Triethyl-6-methoxy-1,3,5-triazin-2-amine
CID 199902
N,N-Diethyl-4-methoxy-6-propyl-1,3,5-triazin-2-amine
CID 199908
Triazine, 2-amino-4-methyl-6-pyrrolidino-
CID 207475
s-Triazine, 2,4-dipyrrolidino-6-methyl-
CID 213568
2-(3,3-Difluoropyrrolidin-1-yl)-4,6-dimethyl-1,3,5-triazine
CID 149525082
4-Methoxy-6-(1-pyrrolidinylmethyl)-1,3,5-triazin-2-amine
CID 587698
N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 3489807
N-Hydroxy-4-methoxy-6-(1-pyrrolidinyl)-1,3,5-triazine-2-carboximidamide
CID 135517564
N-Hydroxy-4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carboximidamide
CID 135788802
N,N-dibutyl-4,6-dimethyl-1,3,5-triazin-2-amine
CID 57762950

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine?
The IUPAC name of 2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine (CID 59474182) is 2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine is [C-]#[N+][C@@H]1CCCN1c1nc(C)nc(OC)n1.
What is the InChIKey of 2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine?
The InChIKey is YWSCHCUAAGXLCO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-12-9(14-10(13-7)16-3)15-6-4-5-8(15)11-2/h8H,4-6H2,1,3H3/t8-/m0/s1.
What are the key properties of 2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine?
2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine has a molecular weight of 219.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine is sourced from PubChem (CID 59474182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).