2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine

C14H14BrClIN3S — CID 102844092

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(Br)c(Cl)s2)nc(C2CC2)c1I
InChIInChI=1S/C14H14BrClIN3S/c1-2-5-18-14-10(17)11(7-3-4-7)19-13(20-14)9-6-8(15)12(16)21-9/h6-7H,2-5H2,1H3,(H,18,19,20)
InChIKeyAPRYPLHXDOQXMY-UHFFFAOYSA-N
MW498.62 g/mol
LogP5.92
Rot. Bonds5

About 2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine

2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 102844092) has the molecular formula C14H14BrClIN3S and a molecular weight of 498.62 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID102844092
Molecular FormulaC14H14BrClIN3S
Molecular Weight498.62 g/mol
Exact Mass496.88
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(Br)c(Cl)s2)nc(C2CC2)c1I
InChIInChI=1S/C14H14BrClIN3S/c1-2-5-18-14-10(17)11(7-3-4-7)19-13(20-14)9-6-8(15)12(16)21-9/h6-7H,2-5H2,1H3,(H,18,19,20)
InChIKeyAPRYPLHXDOQXMY-UHFFFAOYSA-N
XLogP5.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 102844086
5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 102844082
2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 102843967
2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 102844027
6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66304220
2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 102844107
2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 102843763
2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 102843722
6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80638585
6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine
CID 115347083
2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472651
6-cyclopropyl-2-(2,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66313769

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine (CID 102844092) is 2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cc(Br)c(Cl)s2)nc(C2CC2)c1I.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is APRYPLHXDOQXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClIN3S/c1-2-5-18-14-10(17)11(7-3-4-7)19-13(20-14)9-6-8(15)12(16)21-9/h6-7H,2-5H2,1H3,(H,18,19,20).
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine?
2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 498.62 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 102844092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).