5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine

C14H23IN4O — CID 79657646

IUPAC5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
SMILESCCCNc1nc(C2CN(CCC)CCO2)ncc1I
InChIInChI=1S/C14H23IN4O/c1-3-5-16-13-11(15)9-17-14(18-13)12-10-19(6-4-2)7-8-20-12/h9,12H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyFGMRGHQDFXASIE-UHFFFAOYSA-N
MW390.27 g/mol
LogP2.69
Rot. Bonds6

About 5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine

5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine (PubChem CID 79657646) has the molecular formula C14H23IN4O and a molecular weight of 390.27 g/mol. Its IUPAC name is 5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
PubChem CID79657646
Molecular FormulaC14H23IN4O
Molecular Weight390.27 g/mol
Exact Mass390.09
IUPAC Name5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
SMILESCCCNc1nc(C2CN(CCC)CCO2)ncc1I
InChIInChI=1S/C14H23IN4O/c1-3-5-16-13-11(15)9-17-14(18-13)12-10-19(6-4-2)7-8-20-12/h9,12H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyFGMRGHQDFXASIE-UHFFFAOYSA-N
XLogP2.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 52.69
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 5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine (CID 79657646) is 5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine is CCCNc1nc(C2CN(CCC)CCO2)ncc1I.
What is the InChIKey of 5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine?
The InChIKey is FGMRGHQDFXASIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN4O/c1-3-5-16-13-11(15)9-17-14(18-13)12-10-19(6-4-2)7-8-20-12/h9,12H,3-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine?
5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine has a molecular weight of 390.27 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79657646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).