5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine

C14H18IN5 — CID 115528560

IUPAC5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccnc(C)n2)nc(CC(C)C)c1I
InChIInChI=1S/C14H18IN5/c1-8(2)7-11-12(15)14(16-4)20-13(19-11)10-5-6-17-9(3)18-10/h5-6,8H,7H2,1-4H3,(H,16,19,20)
InChIKeyISBIAPDWZJLZET-UHFFFAOYSA-N
MW383.24 g/mol
LogP3.09
Rot. Bonds4

About 5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine

5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine (PubChem CID 115528560) has the molecular formula C14H18IN5 and a molecular weight of 383.24 g/mol. Its IUPAC name is 5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
PubChem CID115528560
Molecular FormulaC14H18IN5
Molecular Weight383.24 g/mol
Exact Mass383.06
IUPAC Name5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccnc(C)n2)nc(CC(C)C)c1I
InChIInChI=1S/C14H18IN5/c1-8(2)7-11-12(15)14(16-4)20-13(19-11)10-5-6-17-9(3)18-10/h5-6,8H,7H2,1-4H3,(H,16,19,20)
InChIKeyISBIAPDWZJLZET-UHFFFAOYSA-N
XLogP3.09
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 53.09
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

5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527549
5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine
CID 115528491
N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
CID 81307662
5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 113329095
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 107924043
5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66302829
[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114362055
2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 103445182
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
CID 115531275
2-(3-bromofuran-2-yl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 106889288
5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine
CID 103348437
[2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 115531208

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine (CID 115528560) is 5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine is CNc1nc(-c2ccnc(C)n2)nc(CC(C)C)c1I.
What is the InChIKey of 5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
The InChIKey is ISBIAPDWZJLZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN5/c1-8(2)7-11-12(15)14(16-4)20-13(19-11)10-5-6-17-9(3)18-10/h5-6,8H,7H2,1-4H3,(H,16,19,20).
What are the key properties of 5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine has a molecular weight of 383.24 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 115528560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).