5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C15H25IN4O — CID 79096567

IUPAC5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CN(C)CCO2)nc(C(C)C)c1I
InChIInChI=1S/C15H25IN4O/c1-5-6-17-15-12(16)13(10(2)3)18-14(19-15)11-9-20(4)7-8-21-11/h10-11H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyYIPODKXXZATUNP-UHFFFAOYSA-N
MW404.30 g/mol
LogP3.03
Rot. Bonds5

About 5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine

5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 79096567) has the molecular formula C15H25IN4O and a molecular weight of 404.30 g/mol. Its IUPAC name is 5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID79096567
Molecular FormulaC15H25IN4O
Molecular Weight404.30 g/mol
Exact Mass404.11
IUPAC Name5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CN(C)CCO2)nc(C(C)C)c1I
InChIInChI=1S/C15H25IN4O/c1-5-6-17-15-12(16)13(10(2)3)18-14(19-15)11-9-20(4)7-8-21-11/h10-11H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyYIPODKXXZATUNP-UHFFFAOYSA-N
XLogP3.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 53.03
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

6-ethyl-5-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine
CID 79089266
5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 79096555
N-[[4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 79088552
5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115388629
5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657646
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79088256
N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657564
4-methyl-2-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 114739024
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79961334
5-iodo-N-methyl-2-(1,4-oxathian-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 79968440
5-iodo-6-methyl-2-(1,4-oxathian-2-yl)-N-propylpyrimidin-4-amine
CID 79969944

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 79096567) is 5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(C2CN(C)CCO2)nc(C(C)C)c1I.
What is the InChIKey of 5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is YIPODKXXZATUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25IN4O/c1-5-6-17-15-12(16)13(10(2)3)18-14(19-15)11-9-20(4)7-8-21-11/h10-11H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 404.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79096567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).