2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine

C8H11IN4O — CID 143257916

IUPAC2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCOc1nc(I)nc(N2CCCC2)n1
InChIInChI=1S/C8H11IN4O/c1-14-8-11-6(9)10-7(12-8)13-4-2-3-5-13/h2-5H2,1H3
InChIKeyZGSBTNXDVYDDCS-UHFFFAOYSA-N
MW306.11 g/mol
LogP1.09
Rot. Bonds2

About 2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine

2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 143257916) has the molecular formula C8H11IN4O and a molecular weight of 306.11 g/mol. Its IUPAC name is 2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID143257916
Molecular FormulaC8H11IN4O
Molecular Weight306.11 g/mol
Exact Mass306.00
IUPAC Name2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCOc1nc(I)nc(N2CCCC2)n1
InChIInChI=1S/C8H11IN4O/c1-14-8-11-6(9)10-7(12-8)13-4-2-3-5-13/h2-5H2,1H3
InChIKeyZGSBTNXDVYDDCS-UHFFFAOYSA-N
XLogP1.09
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
CID 729324
2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine
CID 557838
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 122058843
1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 133397690
1-(4-imidazol-1-yl-6-methoxy-1,3,5-triazin-2-yl)azepane
CID 30106396
2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048519
(2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol
CID 133486119
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide
CID 119099627
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253100
2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 63392500
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone
CID 63844978

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine (CID 143257916) is 2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine is COc1nc(I)nc(N2CCCC2)n1.
What is the InChIKey of 2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is ZGSBTNXDVYDDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O/c1-14-8-11-6(9)10-7(12-8)13-4-2-3-5-13/h2-5H2,1H3.
What are the key properties of 2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 306.11 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 143257916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).