6-ethyl-5-iodo-N-propylpyrimidin-4-amine

C9H14IN3 — CID 66299498

IUPAC6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(CC)c1I
InChIInChI=1S/C9H14IN3/c1-3-5-11-9-8(10)7(4-2)12-6-13-9/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyIYWLCWDNLKXOOJ-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.47
Rot. Bonds4

About 6-ethyl-5-iodo-N-propylpyrimidin-4-amine

6-ethyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 66299498) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 6-ethyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID66299498
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC Name6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(CC)c1I
InChIInChI=1S/C9H14IN3/c1-3-5-11-9-8(10)7(4-2)12-6-13-9/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyIYWLCWDNLKXOOJ-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79819683
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine
CID 79722755
N-(6-ethyl-5-fluoropyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 113344333
5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 114045642
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300318
2-[(2-bromophenyl)methyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66298903

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-N-propylpyrimidin-4-amine (CID 66299498) is 6-ethyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1ncnc(CC)c1I.
What is the InChIKey of 6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is IYWLCWDNLKXOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3/c1-3-5-11-9-8(10)7(4-2)12-6-13-9/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
6-ethyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 291.14 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66299498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).