5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine

C11H17IN4O — CID 66299151

IUPAC5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N2CCOCC2)nc(N)c1I
InChIInChI=1S/C11H17IN4O/c1-7(2)9-8(12)10(13)15-11(14-9)16-3-5-17-6-4-16/h7H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyAZBRDDZRMPPZPM-UHFFFAOYSA-N
MW348.19 g/mol
LogP1.62
Rot. Bonds2

About 5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine

5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66299151) has the molecular formula C11H17IN4O and a molecular weight of 348.19 g/mol. Its IUPAC name is 5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66299151
Molecular FormulaC11H17IN4O
Molecular Weight348.19 g/mol
Exact Mass348.04
IUPAC Name5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N2CCOCC2)nc(N)c1I
InChIInChI=1S/C11H17IN4O/c1-7(2)9-8(12)10(13)15-11(14-9)16-3-5-17-6-4-16/h7H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyAZBRDDZRMPPZPM-UHFFFAOYSA-N
XLogP1.62
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 51.62
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

4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868604
4-morpholin-4-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80885930
4-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)morpholine
CID 177031494
5,6-dimethyl-2-morpholin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 14639124
9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine
CID 69098224
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
4-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 27396187
6-tert-butyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66307032
5-(3,5-dichlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 22360304
2-N-[1-(furan-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80774193

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine (CID 66299151) is 5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N2CCOCC2)nc(N)c1I.
What is the InChIKey of 5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is AZBRDDZRMPPZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O/c1-7(2)9-8(12)10(13)15-11(14-9)16-3-5-17-6-4-16/h7H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine?
5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 348.19 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66299151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).