3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine

C11H16ClIN4O — CID 91397433

IUPAC3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine
SMILESNCCC(c1nc(Cl)ncc1I)N1CCOCC1
InChIInChI=1S/C11H16ClIN4O/c12-11-15-7-8(13)10(16-11)9(1-2-14)17-3-5-18-6-4-17/h7,9H,1-6,14H2
InChIKeyITPIYVJHYNJXSU-UHFFFAOYSA-N
MW382.63 g/mol
LogP1.46
Rot. Bonds4

About 3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine

3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine (PubChem CID 91397433) has the molecular formula C11H16ClIN4O and a molecular weight of 382.63 g/mol. Its IUPAC name is 3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine
PubChem CID91397433
Molecular FormulaC11H16ClIN4O
Molecular Weight382.63 g/mol
Exact Mass382.01
IUPAC Name3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine
SMILESNCCC(c1nc(Cl)ncc1I)N1CCOCC1
InChIInChI=1S/C11H16ClIN4O/c12-11-15-7-8(13)10(16-11)9(1-2-14)17-3-5-18-6-4-17/h7,9H,1-6,14H2
InChIKeyITPIYVJHYNJXSU-UHFFFAOYSA-N
XLogP1.46
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of 3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine (CID 91397433) is 3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine is NCCC(c1nc(Cl)ncc1I)N1CCOCC1.
What is the InChIKey of 3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine?
The InChIKey is ITPIYVJHYNJXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClIN4O/c12-11-15-7-8(13)10(16-11)9(1-2-14)17-3-5-18-6-4-17/h7,9H,1-6,14H2.
What are the key properties of 3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine?
3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine has a molecular weight of 382.63 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-iodopyrimidin-4-yl)-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 91397433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).