N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine

C11H11IN4O — CID 116649023

IUPACN-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine
SMILESCCOc1ccc(Nc2ncc(I)cn2)cn1
InChIInChI=1S/C11H11IN4O/c1-2-17-10-4-3-9(7-13-10)16-11-14-5-8(12)6-15-11/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyLDXCIIALGKZTGA-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.62
Rot. Bonds4

About N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine

N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine (PubChem CID 116649023) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine
PubChem CID116649023
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC NameN-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine
SMILESCCOc1ccc(Nc2ncc(I)cn2)cn1
InChIInChI=1S/C11H11IN4O/c1-2-17-10-4-3-9(7-13-10)16-11-14-5-8(12)6-15-11/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyLDXCIIALGKZTGA-UHFFFAOYSA-N
XLogP2.62
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544878
6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine
CID 103096940
1-N-(5-iodopyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 116648876
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine
CID 114281851
6-ethoxy-N-(1-ethoxypropan-2-yl)pyridin-3-amine
CID 115922413
5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 116648818
(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
CID 113353541
2-[(6-ethoxy-3-pyridinyl)amino]-3-methylbenzenecarbothioamide
CID 107108446
4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide
CID 82796373
5-chloro-2-ethoxypyridine
CID 4738274
ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate
CID 23209226
5-iodo-N-naphthalen-2-ylpyrimidin-2-amine
CID 116648943

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine?
The IUPAC name of N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine (CID 116649023) is N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine?
The canonical SMILES for N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine is CCOc1ccc(Nc2ncc(I)cn2)cn1.
What is the InChIKey of N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine?
The InChIKey is LDXCIIALGKZTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c1-2-17-10-4-3-9(7-13-10)16-11-14-5-8(12)6-15-11/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine?
N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine has a molecular weight of 342.14 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine is sourced from PubChem (CID 116649023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).