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

C13H22IN3 — CID 66299368

IUPAC5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(C(C)C)c1I
InChIInChI=1S/C13H22IN3/c1-6-7-15-13-10(14)11(8(2)3)16-12(17-13)9(4)5/h8-9H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyNSOLORKCQKOZHT-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.15
Rot. Bonds5

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

5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 66299368) has the molecular formula C13H22IN3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
PubChem CID66299368
Molecular FormulaC13H22IN3
Molecular Weight347.24 g/mol
Exact Mass347.09
IUPAC Name5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(C(C)C)c1I
InChIInChI=1S/C13H22IN3/c1-6-7-15-13-10(14)11(8(2)3)16-12(17-13)9(4)5/h8-9H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyNSOLORKCQKOZHT-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.15
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-(1-methoxy-2,2-dimethylpropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 116729693
5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 66305735
2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300153
2-[2-(dimethylamino)ethyl]-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115347066
2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300943
2-benzyl-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300352
5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 66300350
5-iodo-2-(5-methylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66296414
5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299562
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115388629
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine (CID 66299368) is 5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)C)nc(C(C)C)c1I.
What is the InChIKey of 5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is NSOLORKCQKOZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3/c1-6-7-15-13-10(14)11(8(2)3)16-12(17-13)9(4)5/h8-9H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine?
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 347.24 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66299368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).