5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine

C9H14IN3O — CID 66319257

IUPAC5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
SMILESCOCC(C)N(C)c1ncncc1I
InChIInChI=1S/C9H14IN3O/c1-7(5-14-3)13(2)9-8(10)4-11-6-12-9/h4,6-7H,5H2,1-3H3
InChIKeyUILQAGFAKBAKGO-UHFFFAOYSA-N
MW307.14 g/mol
LogP1.55
Rot. Bonds4

About 5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine

5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine (PubChem CID 66319257) has the molecular formula C9H14IN3O and a molecular weight of 307.14 g/mol. Its IUPAC name is 5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
PubChem CID66319257
Molecular FormulaC9H14IN3O
Molecular Weight307.14 g/mol
Exact Mass307.02
IUPAC Name5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
SMILESCOCC(C)N(C)c1ncncc1I
InChIInChI=1S/C9H14IN3O/c1-7(5-14-3)13(2)9-8(10)4-11-6-12-9/h4,6-7H,5H2,1-3H3
InChIKeyUILQAGFAKBAKGO-UHFFFAOYSA-N
XLogP1.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 81061842
N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 66320006
6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine
CID 80809383
4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde
CID 66336656
N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106918118
N-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66340600
5-iodo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 66319064
5-iodo-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66342786
1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine
CID 66320932
4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 78958736
5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine
CID 80635092
5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66340183

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine (CID 66319257) is 5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine is COCC(C)N(C)c1ncncc1I.
What is the InChIKey of 5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine?
The InChIKey is UILQAGFAKBAKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O/c1-7(5-14-3)13(2)9-8(10)4-11-6-12-9/h4,6-7H,5H2,1-3H3.
What are the key properties of 5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine?
5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine has a molecular weight of 307.14 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66319257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).