2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

C13H23IN4 — CID 115347061

IUPAC2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCN(C)C)nc(CC)c1I
InChIInChI=1S/C13H23IN4/c1-5-8-15-13-12(14)10(6-2)16-11(17-13)7-9-18(3)4/h5-9H2,1-4H3,(H,15,16,17)
InChIKeyQDZHZUVCJSFSDR-UHFFFAOYSA-N
MW362.26 g/mol
LogP2.57
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 115347061) has the molecular formula C13H23IN4 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID115347061
Molecular FormulaC13H23IN4
Molecular Weight362.26 g/mol
Exact Mass362.10
IUPAC Name2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCN(C)C)nc(CC)c1I
InChIInChI=1S/C13H23IN4/c1-5-8-15-13-12(14)10(6-2)16-11(17-13)7-9-18(3)4/h5-9H2,1-4H3,(H,15,16,17)
InChIKeyQDZHZUVCJSFSDR-UHFFFAOYSA-N
XLogP2.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethyl]-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115347066
6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine
CID 115347083
2-[2-(dimethylamino)ethyl]-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 115347025
4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80980867
2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66298903
5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
CID 66304606
N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
CID 66298694
6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine
CID 66299026
2-cyclobutyl-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299102
2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299095
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
2-[2-(dimethylamino)ethyl]-N,6-dipropylpyrimidin-4-amine
CID 115346995

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (CID 115347061) is 2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(CCN(C)C)nc(CC)c1I.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is QDZHZUVCJSFSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IN4/c1-5-8-15-13-12(14)10(6-2)16-11(17-13)7-9-18(3)4/h5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 362.26 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115347061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).