5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine

C11H18IN3 — CID 66305735

IUPAC5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(C)c1I
InChIInChI=1S/C11H18IN3/c1-5-6-13-11-9(12)8(4)14-10(15-11)7(2)3/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyKBAWPYQSXGHOHD-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.33
Rot. Bonds4

About 5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine

5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66305735) has the molecular formula C11H18IN3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66305735
Molecular FormulaC11H18IN3
Molecular Weight319.19 g/mol
Exact Mass319.05
IUPAC Name5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(C)c1I
InChIInChI=1S/C11H18IN3/c1-5-6-13-11-9(12)8(4)14-10(15-11)7(2)3/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyKBAWPYQSXGHOHD-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116503015
2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 116729367
5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
CID 66307320
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62315264
5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66306328
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104830615
5-iodo-2-(1-methoxy-2,2-dimethylpropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 116729693
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine
CID 114201160

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 66305735) is 5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)C)nc(C)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is KBAWPYQSXGHOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3/c1-5-6-13-11-9(12)8(4)14-10(15-11)7(2)3/h7H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 319.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66305735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).