5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine

C14H24IN3O2S — CID 116633286

IUPAC5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)S(C)(=O)=O)nc(CC(C)C)c1I
InChIInChI=1S/C14H24IN3O2S/c1-6-7-16-14-12(15)11(8-9(2)3)17-13(18-14)10(4)21(5,19)20/h9-10H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyMITYGQMNPGBMSG-UHFFFAOYSA-N
MW425.34 g/mol
LogP3.21
Rot. Bonds7

About 5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine

5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine (PubChem CID 116633286) has the molecular formula C14H24IN3O2S and a molecular weight of 425.34 g/mol. Its IUPAC name is 5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
PubChem CID116633286
Molecular FormulaC14H24IN3O2S
Molecular Weight425.34 g/mol
Exact Mass425.06
IUPAC Name5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)S(C)(=O)=O)nc(CC(C)C)c1I
InChIInChI=1S/C14H24IN3O2S/c1-6-7-16-14-12(15)11(8-9(2)3)17-13(18-14)10(4)21(5,19)20/h9-10H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyMITYGQMNPGBMSG-UHFFFAOYSA-N
XLogP3.21
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 53.21
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

N-ethyl-5-iodo-2-(1-methylsulfonylethyl)-6-propylpyrimidin-4-amine
CID 116633231
5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine
CID 116633228
2-(1-methylsulfonylethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472555
5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116633152
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 66305735
6-ethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116633155
5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116503066
6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
CID 116633181
5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730006
2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 116729776
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116503015

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine (CID 116633286) is 5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)S(C)(=O)=O)nc(CC(C)C)c1I.
What is the InChIKey of 5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine?
The InChIKey is MITYGQMNPGBMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24IN3O2S/c1-6-7-16-14-12(15)11(8-9(2)3)17-13(18-14)10(4)21(5,19)20/h9-10H,6-8H2,1-5H3,(H,16,17,18).
What are the key properties of 5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine?
5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine has a molecular weight of 425.34 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116633286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).